data_2jpb_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 2jpb _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 ' 137' ' ' VAL . . . . . . . . . . . . . 2.1 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.459 ' CD1' HG13 ' A' ' 173' ' ' VAL . 5.3 mp -131.34 107.75 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.404 1.065 . . . . 0.0 109.318 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.44 149.67 41.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.498 ' N ' ' CD1' ' A' ' 140' ' ' PHE . 3.4 m-85 -120.7 -179.78 4.1 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -53.04 -28.02 31.92 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -134.71 -47.56 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 0.759 . . . . 0.0 109.354 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.539 ' CD1' ' HG3' ' A' ' 154' ' ' ARG . 10.9 m-85 -69.8 154.61 41.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 153' ' ' PHE . 17.5 mttt -142.69 131.72 23.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 138' ' ' ILE . 1.8 tt -142.56 151.85 41.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 148' ' ' GLY . 22.6 t-20 -160.04 119.85 2.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.582 ' CD2' ' CE1' ' A' ' 166' ' ' PHE . 63.7 mt -78.25 -43.85 27.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 146' ' ' ASN . . . -51.81 -30.13 28.13 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' THR . . . . . 0.426 ' CB ' ' ND2' ' A' ' 146' ' ' ASN . 36.1 m -115.16 -7.2 12.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 0.741 . . . . 0.0 110.421 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 146' ' ' ASN . 0.0 OUTLIER 47.08 53.02 11.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 0.0 110.328 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -139.34 114.84 9.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.417 1.073 . . . . 0.0 110.338 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' MET . . . . . 0.42 ' HB3' ' CD1' ' A' ' 161' ' ' LEU . 12.0 ttt -119.71 142.23 48.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.442 ' O ' ' N ' ' A' ' 144' ' ' LYS . 0.4 OUTLIER -157.59 157.39 33.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.42 1.075 . . . . 0.0 111.054 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . 0.539 ' HG3' ' CD1' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -123.87 99.69 6.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . 0.524 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 0.6 OUTLIER 88.93 -23.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 155' ' ' GLU . 1.8 t0 156.71 -31.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 153' ' ' PHE . 0.6 OUTLIER -49.55 106.0 0.58 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 122.79 7.41 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.519 1.799 . . . . 0.0 111.061 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.22 122.45 25.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 139.49 24.49 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.544 1.812 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.42 ' CD1' ' HB3' ' A' ' 152' ' ' MET . 10.7 mt -119.94 95.14 4.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 3.5 t -54.07 164.93 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.45 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 167' ' ' ALA . 3.9 m -50.12 -54.03 23.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.651 1.219 . . . . 0.0 109.977 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -51.61 -55.96 17.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.568 1.168 . . . . 0.0 110.955 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -58.35 -65.99 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 0.712 . . . . 0.0 110.232 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.582 ' CE1' ' CD2' ' A' ' 147' ' ' LEU . 0.2 OUTLIER -47.96 -51.43 23.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 163' ' ' SER . . . -55.68 -46.08 77.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 3.2 t -56.56 -62.85 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 172' ' ' LEU . 0.5 OUTLIER -54.18 -55.18 30.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . 0.461 ' CG ' HD11 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -41.14 -44.62 2.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -53.36 -49.0 68.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 169' ' ' LEU . 0.8 OUTLIER -65.48 -38.06 88.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . 0.459 HG13 ' CD1' ' A' ' 138' ' ' ILE . 22.4 t -76.91 -6.73 9.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 109.217 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 174' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 170' ' ' LYS . 0.3 OUTLIER -88.52 -25.56 22.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.995 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -138.85 91.47 11.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.649 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 127.72 10.88 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.556 1.819 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 73.81 31.34 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.39 99.93 42.33 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.181 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 179' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 120.0 5.92 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.49 1.784 . . . . 0.0 111.07 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.3 mt -127.52 148.51 50.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.26 163.62 6.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.042 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -27.38 68.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.02 -53.64 16.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.31 -25.93 64.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . 0.562 ' HG ' ' CD2' ' A' ' 230' ' ' TYR . 2.5 mm? -58.44 -69.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 4.4 ptm -64.79 -28.64 69.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.15 -59.82 4.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.243 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.933 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 200' ' ' SER . . . . . 0.501 ' OG ' ' CG1' ' A' ' 203' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.567 ' CG2' ' CE2' ' A' ' 230' ' ' TYR . 0.3 OUTLIER -135.47 -46.62 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.36 -40.67 96.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 203' ' ' VAL . . . . . 0.501 ' CG1' ' OG ' ' A' ' 200' ' ' SER . 6.3 p -80.33 -33.41 14.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 204' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.74 -52.58 16.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.562 HG13 ' CE1' ' A' ' 230' ' ' TYR . 5.7 mm -53.33 -57.41 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 4.0 p -43.37 -48.73 7.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.453 1.096 . . . . 0.0 110.06 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -66.46 -32.33 73.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.343 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 208' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 205' ' ' ILE . 13.6 mt -73.51 -36.06 65.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 209' ' ' ARG . . . . . . . . . . . . . 5.2 mtp-105 -68.44 -22.07 64.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.267 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -77.71 -58.68 3.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 211' ' ' MET . . . . . 0.427 ' HG3' ' N ' ' A' ' 212' ' ' VAL . 8.5 ptp -49.48 -40.8 38.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 212' ' ' VAL . . . . . 0.427 ' N ' ' HG3' ' A' ' 211' ' ' MET . 12.4 m -79.1 -36.09 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.596 1.185 . . . . 0.0 109.218 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -131.54 103.5 6.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.26 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.254 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.862 0 N-CA-C 111.03 -0.411 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 220' ' ' ARG . . . . . 0.46 ' HD3' ' CE1' ' A' ' 221' ' ' TYR . 22.3 ttt85 -155.69 -51.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.576 1.173 . . . . 0.0 110.2 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.46 ' CE1' ' HD3' ' A' ' 220' ' ' ARG . 78.0 m-85 -101.73 19.37 18.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.083 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 222' ' ' ILE . . . . . . . . . . . . . 27.2 mm -143.65 112.93 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -119.89 89.5 3.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 10.3 m -73.21 123.12 23.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.439 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 225' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 229' ' ' GLY . 40.9 t -117.72 119.53 61.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.236 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 24.2 m95 -62.59 -47.71 82.6 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -56.67 -48.0 80.73 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.595 1.185 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -87.07 -81.58 0.23 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.556 0.797 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 229' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 169.83 -80.55 0.09 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.417 1.073 . . . . 0.0 110.94 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 230' ' ' TYR . . . . . 0.567 ' CE2' ' CG2' ' A' ' 201' ' ' ILE . 98.0 m-85 -152.08 118.73 5.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 0.809 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 4.8 p -119.84 151.7 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -120.11 98.37 6.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 53.1 t -109.51 103.06 51.94 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.544 1.813 . . . . 0.0 111.006 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.496 ' HB ' ' CB ' ' A' ' 146' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.457 ' CD1' HG13 ' A' ' 173' ' ' VAL . 4.4 mp -142.73 115.94 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -124.66 157.22 36.09 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.542 ' CD2' ' HB3' ' A' ' 143' ' ' PHE . 3.4 m-85 -122.74 -179.22 4.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -36.26 -64.96 0.54 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.573 1.171 . . . . 0.0 111.043 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.14 38.33 3.99 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.4 0.706 . . . . 0.0 109.248 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.542 ' HB3' ' CD2' ' A' ' 140' ' ' PHE . 1.8 t80 -139.63 166.26 25.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.96 120.25 3.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.47 HD11 ' CD2' ' A' ' 169' ' ' LEU . 0.7 OUTLIER -133.32 156.05 48.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.616 1.197 . . . . 0.0 109.302 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.496 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 49.3 t-20 -157.9 115.55 3.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.376 1.047 . . . . 0.0 109.312 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.471 HD13 ' CG ' ' A' ' 170' ' ' LYS . 10.0 mt -78.51 -38.19 41.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.435 1.084 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -61.68 -20.02 58.96 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.623 1.202 . . . . 0.0 111.043 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' THR . . . . . 0.405 ' HB ' ' ND2' ' A' ' 146' ' ' ASN . 18.0 m -114.03 -30.27 6.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.431 0.724 . . . . 0.0 110.404 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.45 ' HG3' ' CD2' ' A' ' 166' ' ' PHE . 19.5 ttm180 71.47 43.24 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -147.13 114.46 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' MET . . . . . 0.507 ' C ' ' CD1' ' A' ' 153' ' ' PHE . 5.0 ptm -129.21 152.64 48.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.572 1.17 . . . . 0.0 110.963 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.507 ' CD1' ' C ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -139.69 176.39 8.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.158 . . . . 0.0 110.966 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -160.06 120.01 2.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.228 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 47.71 56.3 7.31 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.442 1.088 . . . . 0.0 110.285 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.3 49.06 7.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.27 89.02 4.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 0.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . 0.493 ' HB3' ' CD1' ' A' ' 153' ' ' PHE . 18.2 Cg_endo -75.03 150.43 38.01 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.32 136.44 8.11 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.637 1.211 . . . . 0.0 110.986 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 170.76 19.67 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.477 1.777 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.471 ' CD1' ' SD ' ' A' ' 152' ' ' MET . 25.8 mt -127.46 129.7 47.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.364 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 3.0 p -77.76 168.49 19.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.405 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 167' ' ' ALA . 1.4 p -55.6 -56.59 18.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.946 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -51.87 -53.29 30.58 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -62.78 -71.33 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.408 0.711 . . . . 0.0 110.319 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.45 ' CD2' ' HG3' ' A' ' 150' ' ' ARG . 30.5 t80 -41.13 -45.08 2.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 163' ' ' SER . . . -64.73 -58.59 5.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.123 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 2.6 t -49.69 -48.25 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.47 ' CD2' HD11 ' A' ' 145' ' ' LEU . 0.4 OUTLIER -64.71 -33.84 76.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . 0.471 ' CG ' HD13 ' A' ' 147' ' ' LEU . 5.5 mttm -60.75 -39.76 89.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -70.31 -44.27 68.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.575 1.172 . . . . 0.0 109.239 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.58 -44.67 89.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.127 . . . . 0.0 109.244 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . 0.457 HG13 ' CD1' ' A' ' 138' ' ' ILE . 80.1 t -73.85 -30.45 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 174' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 170' ' ' LYS . 2.1 m -55.41 -36.98 67.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.89 90.55 50.56 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.603 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 120.51 6.1 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.44 1.758 . . . . 0.0 110.959 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 72.67 50.13 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -159.44 131.21 4.09 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 179' ' ' PRO . . . . . 0.46 ' CB ' ' HG ' ' A' ' 228' ' ' LEU . 18.4 Cg_endo -75.06 164.25 33.62 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.563 1.823 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -162.31 112.44 1.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.85 142.65 8.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.088 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -41.64 -31.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.374 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.43 -50.33 10.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -57.76 -44.3 86.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 2.1 tt -57.65 -61.98 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 6.2 ttt -42.87 -45.5 4.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.363 1.039 . . . . 0.0 111.028 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -69.03 -53.63 19.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.359 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.427 HG22 ' CE2' ' A' ' 230' ' ' TYR . 3.3 mt -76.14 -57.68 5.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 202' ' ' ASP . . . . . 0.439 ' N ' ' OH ' ' A' ' 230' ' ' TYR . 0.9 OUTLIER -40.0 -41.91 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 95.7 t -62.04 -53.06 52.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.356 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 204' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 208' ' ' LEU . 21.8 mm-40 -62.49 -43.57 98.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.361 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.463 HG13 ' CE1' ' A' ' 230' ' ' TYR . 21.6 mm -43.98 -47.04 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 6.3 t -62.1 -58.97 5.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.606 1.191 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 14.6 mtt-85 -54.12 -29.95 46.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 208' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 204' ' ' GLN . 3.6 mm? -77.87 -40.68 39.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 209' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 213' ' ' GLU . 2.7 ttm180 -58.37 -52.32 66.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.19 -25.62 67.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.245 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -56.25 10.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 111.035 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 212' ' ' VAL . . . . . . . . . . . . . 15.8 m -80.33 -27.72 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.196 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 209' ' ' ARG . 37.3 mm-40 -114.74 -147.73 0.42 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.502 1.126 . . . . 0.0 110.348 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.296 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 219' ' ' PRO . . . . . 0.447 ' O ' ' NH1' ' A' ' 220' ' ' ARG . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.847 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 220' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 219' ' ' PRO . 0.1 OUTLIER 163.56 -45.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.599 ' O ' ' CE2' ' A' ' 232' ' ' PHE . 87.5 m-85 -90.73 20.37 4.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 222' ' ' ILE . . . . . . . . . . . . . 32.3 mm -147.99 110.72 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -124.7 119.88 30.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 97.1 m -109.68 114.55 28.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.588 1.18 . . . . 0.0 110.459 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 225' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 229' ' ' GLY . 24.0 t -111.15 134.98 51.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 9.2 m95 -75.32 -54.5 6.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 107.987 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -54.37 -27.67 41.16 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.496 1.122 . . . . 0.0 111.085 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . 0.46 ' HG ' ' CB ' ' A' ' 179' ' ' PRO . 1.3 mm? -105.63 -80.23 0.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.384 0.696 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 229' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 164.3 -86.08 0.1 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.47 1.106 . . . . 0.0 111.094 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 230' ' ' TYR . . . . . 0.463 ' CE1' HG13 ' A' ' 205' ' ' ILE . 48.4 m-85 -144.85 115.87 7.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 0.742 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 231' ' ' VAL . . . . . 0.42 ' CG1' HG22 ' A' ' 225' ' ' VAL . 0.2 OUTLIER -119.45 145.8 25.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 221' ' ' TYR . 10.0 t80 -121.44 98.21 5.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 233' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 220' ' ' ARG . 93.7 t -101.75 107.83 53.46 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.195 0 O-C-N 124.506 1.792 . . . . 0.0 111.009 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.499 ' HB ' ' CB ' ' A' ' 146' ' ' ASN . 0.7 OUTLIER . . . . . 0 N--CA 1.451 -0.387 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 145' ' ' LEU . 3.1 mp -145.91 118.02 2.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.572 1.17 . . . . 0.0 109.32 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -127.29 158.68 36.55 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' A' ' 143' ' ' PHE . 2.5 m-85 -121.3 -179.0 3.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.135 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -36.19 -64.83 0.55 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.558 1.162 . . . . 0.0 111.044 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -121.5 37.68 4.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 0.747 . . . . 0.0 109.262 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.566 ' HB3' ' CD2' ' A' ' 140' ' ' PHE . 2.4 t80 -137.29 170.9 15.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 110.967 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.475 ' HB3' ' CD2' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -158.72 132.3 7.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.349 179.877 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 138' ' ' ILE . 5.1 tt -146.71 157.41 43.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.169 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.499 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 50.3 t-20 -159.03 126.73 4.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.565 ' HB3' ' CE1' ' A' ' 166' ' ' PHE . 2.2 mp -78.16 -50.97 10.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -52.32 -33.77 39.76 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 4.0 m -101.57 -19.51 15.45 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.479 0.752 . . . . 0.0 110.426 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 146' ' ' ASN . 0.0 OUTLIER 52.53 50.95 17.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.231 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -149.25 116.63 6.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.273 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' MET . . . . . 0.554 ' C ' ' CD1' ' A' ' 153' ' ' PHE . 0.2 OUTLIER -123.7 152.83 41.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 111.008 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.554 ' CD1' ' C ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -135.66 174.73 10.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.975 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -159.96 120.82 3.07 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.554 1.159 . . . . 0.0 110.267 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 49.47 54.03 11.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 59.89 59.48 2.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.46 93.0 1.12 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . 0.518 ' HB3' ' CD1' ' A' ' 153' ' ' PHE . 18.5 Cg_endo -74.93 153.47 42.17 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.42 1.747 . . . . 0.0 111.047 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.92 135.05 6.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 111.064 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 156.86 43.12 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.546 1.814 . . . . 0.0 110.949 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 65.7 mt -120.15 115.84 24.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 165' ' ' GLU . 2.0 p -46.56 142.1 3.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 10.5 m -43.54 -35.64 1.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.947 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -71.83 -38.86 60.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.599 1.187 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 162' ' ' THR . 0.0 OUTLIER -61.47 -71.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.44 0.73 . . . . 0.0 110.288 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 147' ' ' LEU . 0.3 OUTLIER -41.8 -38.31 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.964 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -58.13 -63.03 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.465 HG13 ' CD2' ' A' ' 185' ' ' LEU . 9.4 t -55.2 -58.75 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 172' ' ' LEU . 1.9 tt -48.59 -53.19 19.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 166' ' ' PHE . 0.0 OUTLIER -45.67 -55.98 5.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -57.68 -31.67 66.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 169' ' ' LEU . 5.2 tp -71.65 -48.93 44.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.179 . . . . 0.0 109.261 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 4.3 p -80.04 -0.33 3.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 174' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 170' ' ' LYS . 44.6 t -87.39 -36.09 17.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 110.069 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -130.26 79.38 72.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.58 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 176' ' ' PRO . . . . . 0.469 ' O ' ' CB ' ' A' ' 177' ' ' ARG . 18.4 Cg_endo -74.93 146.08 32.54 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.469 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 9.2 ttt180 81.51 -51.52 0.27 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.396 1.06 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -82.31 114.12 48.98 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 0.0 110.348 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 179' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 152.01 39.95 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.456 1.767 . . . . 0.0 110.958 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 18.8 mt -142.78 117.21 9.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 181' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 184' ' ' LYS . 52.6 p -45.11 142.83 1.78 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.14 . . . . 0.0 109.954 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . 0.562 ' HB3' ' CE1' ' A' ' 230' ' ' TYR . 0.0 OUTLIER -44.66 -26.12 0.35 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . 0.411 ' N ' ' C ' ' A' ' 181' ' ' SER . 1.1 m-20 -64.33 -43.84 93.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.369 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 184' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 181' ' ' SER . 0.0 OUTLIER -67.04 -35.17 79.3 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 182' ' ' ARG . 0.7 OUTLIER -56.1 -67.01 0.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.102 . . . . 0.0 109.238 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 25.7 ptm -55.53 -33.57 63.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.433 1.083 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.69 -49.97 71.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.419 0 O-C-N 124.31 1.006 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.454 ' CD1' ' CB ' ' A' ' 185' ' ' LEU . 2.6 mt -58.22 -57.03 12.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 202' ' ' ASP . . . . . 0.444 ' OD2' ' CZ2' ' A' ' 226' ' ' TRP . 0.2 OUTLIER -44.05 -44.47 7.45 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.452 1.095 . . . . 0.0 109.359 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 82.3 t -62.66 -59.47 4.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 204' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 207' ' ' ARG . 5.4 mt-30 -52.91 -56.3 16.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.593 1.183 . . . . 0.0 110.356 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.512 HG13 ' CE2' ' A' ' 230' ' ' TYR . 20.7 mm -40.31 -38.96 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 3.2 t -66.22 -50.12 64.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.578 1.174 . . . . 0.0 109.946 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 207' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 204' ' ' GLN . 0.1 OUTLIER -60.73 -30.07 69.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.346 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 208' ' ' LEU . . . . . 0.449 ' CD1' ' HG3' ' A' ' 165' ' ' GLU . 20.4 mt -79.99 -30.89 39.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 209' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -55.82 12.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 21.2 ttt-85 -63.42 -35.03 79.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 0.0 110.35 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -60.43 3.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.59 1.181 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 212' ' ' VAL . . . . . 0.469 ' CG1' ' HE3' ' A' ' 152' ' ' MET . 35.5 m -71.83 -30.21 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -115.27 93.36 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.428 1.08 . . . . 0.0 110.315 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 110.964 -0.437 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.12 -47.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.338 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.56 ' CD2' ' HB3' ' A' ' 234' ' ' PRO . 20.8 m-85 -91.01 18.9 6.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 111.087 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 222' ' ' ILE . . . . . 0.576 HD12 ' CE2' ' A' ' 232' ' ' PHE . 19.6 mm -143.65 112.02 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 223' ' ' GLN . . . . . 0.434 ' CB ' HG11 ' A' ' 231' ' ' VAL . 5.3 mm-40 -119.99 103.42 9.29 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 224' ' ' THR . . . . . 0.484 HG22 ' CE2' ' A' ' 230' ' ' TYR . 17.9 m -105.31 115.59 30.52 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.562 1.164 . . . . 0.0 110.419 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 225' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 229' ' ' GLY . 0.7 OUTLIER -121.82 105.55 16.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 226' ' ' TRP . . . . . 0.444 ' CZ2' ' OD2' ' A' ' 202' ' ' ASP . 68.0 m95 -50.44 -42.44 54.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 107.991 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -51.39 -20.46 5.23 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.478 1.111 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 4.2 mt -128.94 -78.29 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 229' ' ' GLY . . . . . 0.496 ' C ' ' CD1' ' A' ' 230' ' ' TYR . . . 179.68 -110.81 0.29 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.117 . . . . 0.0 110.964 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 230' ' ' TYR . . . . . 0.562 ' CE1' ' HB3' ' A' ' 182' ' ' ARG . 9.6 m-85 -139.5 117.16 11.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.75 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 231' ' ' VAL . . . . . 0.434 HG11 ' CB ' ' A' ' 223' ' ' GLN . 7.0 p -119.11 155.17 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.576 ' CE2' HD12 ' A' ' 222' ' ' ILE . 2.7 t80 -118.57 95.7 4.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.383 1.052 . . . . 0.0 110.977 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 45.2 t -112.43 97.65 40.8 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 234' ' ' PRO . . . . . 0.56 ' HB3' ' CD2' ' A' ' 221' ' ' TYR . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.563 1.823 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 138' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.436 ' N ' HG23 ' A' ' 137' ' ' VAL . 2.5 mp -136.92 113.45 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.01 154.1 33.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.473 ' N ' ' CD1' ' A' ' 140' ' ' PHE . 5.0 m-85 -120.16 -179.4 3.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -60.02 -13.91 29.11 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.455 1.097 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -143.18 -48.09 0.31 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 0.768 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -74.85 158.08 34.02 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.518 1.136 . . . . 0.0 111.043 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -145.12 113.21 6.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 3.6 tt -119.74 149.27 42.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.231 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -160.37 121.91 3.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 166' ' ' PHE . 6.7 mt -84.38 -42.02 16.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -58.25 -22.29 49.84 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 52.1 m -113.02 -12.81 13.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.771 . . . . 0.0 110.376 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 50.43 51.85 16.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.326 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 153' ' ' PHE . 1.5 mt-10 -146.88 115.83 6.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 0.0 110.361 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' MET . . . . . 0.402 ' O ' ' N ' ' A' ' 159' ' ' MET . 3.5 ttt -119.93 145.62 46.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.664 ' N ' ' CD1' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -156.63 156.85 34.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' A' ' 154' ' ' ARG . 12.1 ptt85 -130.4 104.3 7.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.247 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . 0.509 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 0.6 OUTLIER 88.28 -31.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 155' ' ' GLU . 3.7 m-20 161.14 -28.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.2 113.36 7.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 139.47 24.46 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.522 1.801 . . . . 0.0 111.032 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' MET . . . . . 0.471 ' CE ' ' SD ' ' A' ' 211' ' ' MET . 1.5 ptm -158.13 111.26 1.73 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -177.45 3.47 Favored 'Trans proline' 0 C--N 1.362 1.252 0 O-C-N 124.459 1.768 . . . . 0.0 111.038 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 89.5 mt -137.11 111.17 8.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -48.66 158.44 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 29.2 m -45.98 -54.88 7.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.052 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -54.65 -48.66 64.64 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.572 1.17 . . . . 0.0 110.995 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.432 ' CB ' HD11 ' A' ' 208' ' ' LEU . 5.5 mt-10 -61.95 -67.44 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 110.363 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 147' ' ' LEU . 2.9 t80 -42.63 -48.24 5.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -53.29 -63.41 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.416 HG13 ' CG2' ' A' ' 201' ' ' ILE . 5.3 t -45.87 -55.65 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.475 ' CD2' HD22 ' A' ' 147' ' ' LEU . 8.2 tt -52.41 -57.45 9.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 174' ' ' SER . 0.0 OUTLIER -46.11 -35.5 5.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -66.85 -50.41 62.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.37 -41.35 96.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 56.0 t -77.33 -14.45 14.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 174' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 170' ' ' LYS . 1.1 m -77.74 -15.27 59.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.949 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.39 91.43 5.05 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.558 1.161 . . . . 0.0 109.528 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.89 148.88 36.44 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.564 1.823 . . . . 0.0 111.041 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 50.29 30.65 4.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.98 106.17 12.55 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 110.3 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 179' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 144.45 30.35 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.545 1.813 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 3.1 mt -137.69 163.7 30.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.377 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 181' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 184' ' ' LYS . 29.7 p -90.17 148.6 22.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 110.039 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . 0.455 ' HB3' ' CD1' ' A' ' 201' ' ' ILE . 1.2 mpp_? -50.93 -28.06 8.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 110.357 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 187' ' ' ASN . 4.1 t0 -71.01 -28.87 64.73 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.48 1.113 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 184' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 181' ' ' SER . 1.1 mmtt -76.83 -19.55 57.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . 0.406 ' N ' HD21 ' A' ' 185' ' ' LEU . 1.0 OUTLIER -71.65 -58.26 3.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 186' ' ' MET . . . . . 0.402 ' C ' ' SD ' ' A' ' 186' ' ' MET . 5.0 ppp? -71.37 -33.79 69.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 187' ' ' ASN . . . . . 0.417 ' CB ' ' O ' ' A' ' 183' ' ' ASP . 12.2 t-20 -61.88 -63.49 1.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.367 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.413 1.071 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 203' ' ' VAL . 0.9 OUTLIER -109.42 -64.78 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.355 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 202' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 201' ' ' ILE . 0.5 OUTLIER -36.41 -33.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.29 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 203' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 201' ' ' ILE . 54.1 t -60.62 -61.27 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 204' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 201' ' ' ILE . 2.0 mt-30 -61.35 -28.78 69.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 110.342 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.441 HD13 ' N ' ' A' ' 205' ' ' ILE . 0.6 OUTLIER -56.71 -63.58 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 206' ' ' SER . . . . . 0.41 ' N ' HG23 ' A' ' 205' ' ' ILE . 73.6 p -50.72 -31.87 17.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.044 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -71.06 -51.77 23.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.353 1.033 . . . . 0.0 110.246 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 208' ' ' LEU . . . . . 0.463 ' CB ' ' NH2' ' A' ' 209' ' ' ARG . 53.9 mt -67.86 -28.92 67.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 209' ' ' ARG . . . . . 0.463 ' NH2' ' CB ' ' A' ' 208' ' ' LEU . 6.8 mmp_? -80.3 -41.24 25.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -64.09 -18.7 64.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 211' ' ' MET . . . . . 0.471 ' SD ' ' CE ' ' A' ' 159' ' ' MET . 4.4 ttm -73.77 -62.16 1.59 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 212' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 213' ' ' GLU . 30.2 m -76.74 -33.99 22.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.073 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.571 ' HE2' ' NE ' ' A' ' 220' ' ' ARG . 66.9 mm-40 -112.75 90.12 3.26 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.866 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 220' ' ' ARG . . . . . 0.571 ' NE ' ' HE2' ' A' ' 213' ' ' GLU . 7.7 ptp180 -133.67 -45.26 0.81 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 110.367 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.574 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 75.2 m-85 -87.44 18.32 3.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 111.065 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 222' ' ' ILE . . . . . . . . . . . . . 5.5 mm -151.87 117.47 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.107 . . . . 0.0 109.265 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -122.94 106.1 10.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.255 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 22.1 m -70.08 117.95 12.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.421 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 225' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 229' ' ' GLY . 62.4 t -116.88 116.95 53.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 46.3 m95 -55.45 -56.94 14.43 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 108.04 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -46.1 -39.48 9.28 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.511 1.132 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -101.92 -93.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 0.745 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 229' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 174.29 -75.44 0.08 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.148 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 230' ' ' TYR . . . . . 0.417 ' OH ' ' N ' ' A' ' 202' ' ' ASP . 70.7 m-85 -144.38 119.58 10.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.573 0.808 . . . . 0.0 110.973 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 2.4 p -119.08 144.21 28.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 2.6 t80 -119.96 97.97 5.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.956 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 76.6 t -118.64 141.12 29.35 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 110.972 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.472 ' HB ' ' CB ' ' A' ' 146' ' ' ASN . 1.3 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.437 ' N ' HG21 ' A' ' 137' ' ' VAL . 3.6 mp -126.6 107.05 16.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -123.83 148.46 46.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.403 1.065 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.711 ' CD2' ' CE2' ' A' ' 221' ' ' TYR . 10.4 p90 -152.76 80.75 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 140' ' ' PHE . . . 55.79 112.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.69 -60.37 0.47 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 0.75 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.7 ' CG ' ' CE2' ' A' ' 140' ' ' PHE . 75.4 m-85 -65.9 147.23 53.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.95 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -160.27 113.28 2.09 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.436 ' CD2' HD22 ' A' ' 147' ' ' LEU . 8.9 tt -119.12 149.44 41.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.472 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 48.3 t30 -151.47 113.39 4.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.453 HD11 ' CD ' ' A' ' 170' ' ' LYS . 12.2 mt -78.56 -36.68 44.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -55.49 -24.54 39.01 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.471 1.107 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 18.8 m -115.98 -12.03 11.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 0.771 . . . . 0.0 110.428 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 57.46 48.72 14.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -150.13 121.0 7.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' MET . . . . . 0.412 ' C ' ' SD ' ' A' ' 152' ' ' MET . 0.4 OUTLIER -126.23 151.85 46.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.449 ' HA ' ' O ' ' A' ' 157' ' ' GLU . 0.0 OUTLIER -148.65 174.8 11.77 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.553 1.158 . . . . 0.0 111.044 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . 0.571 ' HG3' ' CE1' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -153.33 91.95 1.55 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 61.47 72.26 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 110.363 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 56.03 68.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.17 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 44.1 tt0 -159.98 91.79 1.75 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 119.65 5.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.557 1.82 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' MET . . . . . 0.401 ' SD ' ' SD ' ' A' ' 152' ' ' MET . 3.2 ptp -149.98 122.36 4.22 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -175.79 2.54 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.483 1.78 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 5.5 mt -141.15 99.71 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.256 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 12.9 t -39.26 155.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.387 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.8 m -46.98 -43.56 19.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.041 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -56.81 -60.13 9.57 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.48 1.112 . . . . 0.0 111.047 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -57.3 -64.99 0.7 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.416 0.715 . . . . 0.0 110.257 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.522 ' CE1' ' HG3' ' A' ' 170' ' ' LYS . 6.0 t80 -42.52 -45.67 4.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -63.02 -47.0 84.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.405 HG12 ' CD2' ' A' ' 185' ' ' LEU . 95.9 t -63.26 -56.97 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.12 -27.84 62.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.112 . . . . 0.0 109.365 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . 0.522 ' HG3' ' CE1' ' A' ' 166' ' ' PHE . 0.0 OUTLIER -63.59 -53.39 52.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -54.53 -53.28 56.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.49 -45.81 73.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.615 1.197 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 25.1 t -70.37 -20.63 22.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 174' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 170' ' ' LYS . 1.0 OUTLIER -80.08 -20.35 45.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.622 1.201 . . . . 0.0 110.01 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . 0.552 ' CD2' ' HG3' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -138.88 85.7 16.13 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.555 1.16 . . . . 0.0 109.595 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 122.91 7.48 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.4 1.737 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 73.53 29.98 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.552 ' HG3' ' CD2' ' A' ' 175' ' ' HIS . 6.1 mm-40 -131.74 107.35 14.16 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 179' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 124.03 8.32 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.475 1.776 . . . . 0.0 111.036 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 2.5 mp -132.78 117.27 17.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 181' ' ' SER . . . . . 0.404 ' HA ' ' CA ' ' A' ' 229' ' ' GLY . 90.6 p -44.5 146.65 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.044 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . 0.568 ' HB3' ' CE1' ' A' ' 230' ' ' TYR . 0.0 OUTLIER -49.78 -25.22 2.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.78 -32.63 73.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.52 -36.97 60.42 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . 0.405 ' CD2' HG12 ' A' ' 168' ' ' VAL . 2.6 mp -55.04 -64.79 0.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -54.97 -35.78 64.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 110.991 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -52.47 -41.91 63.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 42.0 tp . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 202' ' ' ASP . 27.0 mt -70.18 -54.59 18.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.386 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 202' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 201' ' ' ILE . 3.0 t0 -40.22 -59.29 1.3 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 43.1 t -51.03 -58.3 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.219 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 204' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 208' ' ' LEU . 0.0 OUTLIER -50.87 -60.22 3.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.277 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.492 HG13 ' CD2' ' A' ' 230' ' ' TYR . 8.2 mm -42.82 -51.7 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 3.6 m -54.45 -41.9 69.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 207' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 204' ' ' GLN . 20.5 mmt85 -76.07 -22.01 56.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.226 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 208' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 204' ' ' GLN . 1.2 mt -80.38 -54.84 5.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 209' ' ' ARG . . . . . 0.444 ' HB3' ' CG2' ' A' ' 222' ' ' ILE . 0.0 OUTLIER -61.63 -24.38 66.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 110.335 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -74.08 -43.06 59.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.339 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 10.5 mtp -60.72 -52.19 66.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.08 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 212' ' ' VAL . . . . . . . . . . . . . 20.3 m -70.96 -44.39 75.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.218 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -129.14 99.95 5.44 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.912 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.895 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.35 -53.44 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.711 ' CE2' ' CD2' ' A' ' 140' ' ' PHE . 13.5 m-85 -88.85 22.03 2.84 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 222' ' ' ILE . . . . . 0.447 HD13 ' CE2' ' A' ' 232' ' ' PHE . 17.7 mm -141.28 114.27 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.23 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -119.59 105.45 11.22 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.558 1.161 . . . . 0.0 110.257 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 224' ' ' THR . . . . . 0.563 HG23 ' CE2' ' A' ' 230' ' ' TYR . 54.9 m -112.56 112.36 23.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.585 1.178 . . . . 0.0 110.368 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 225' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 229' ' ' GLY . 18.6 m -122.61 115.94 47.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -65.57 -22.15 66.67 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -71.21 -16.91 75.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.468 1.105 . . . . 0.0 111.056 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . 0.461 ' CB ' HG23 ' A' ' 225' ' ' VAL . 0.1 OUTLIER -131.88 -69.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 229' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 172.91 -112.24 0.42 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.52 1.137 . . . . 0.0 111.048 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 230' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 182' ' ' ARG . 24.6 m-85 -140.47 113.87 8.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 0.757 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 13.1 p -119.5 154.97 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 221' ' ' TYR . 4.2 t80 -120.11 97.81 5.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 93.4 t -110.26 99.74 41.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.225 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 234' ' ' PRO . . . . . 0.566 ' HB3' ' CD2' ' A' ' 221' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.208 0 O-C-N 124.438 1.757 . . . . 0.0 111.004 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.511 ' HB ' ' CB ' ' A' ' 146' ' ' ASN . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.472 ' N ' HG23 ' A' ' 137' ' ' VAL . 4.4 mp -134.31 111.19 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.37 1.044 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -121.01 156.43 32.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 143' ' ' PHE . 2.3 m-85 -122.08 -179.59 4.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -37.86 -67.32 0.5 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.558 1.162 . . . . 0.0 111.036 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.31 38.33 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 0.806 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.573 ' HB3' ' CD2' ' A' ' 140' ' ' PHE . 1.6 t80 -141.42 166.48 24.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.405 ' HB3' ' CD2' ' A' ' 153' ' ' PHE . 1.0 OUTLIER -157.47 124.78 5.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.539 ' CD2' ' CD1' ' A' ' 147' ' ' LEU . 0.4 OUTLIER -139.99 158.42 44.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.511 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 52.5 t-20 -158.08 117.47 3.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.245 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.539 ' CD1' ' CD2' ' A' ' 145' ' ' LEU . 7.1 mp -77.15 -46.63 22.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -52.93 -20.12 7.9 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.457 1.098 . . . . 0.0 110.979 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' THR . . . . . 0.404 ' O ' ' CB ' ' A' ' 150' ' ' ARG . 4.3 m -113.03 -36.14 5.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.746 . . . . 0.0 110.398 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.491 ' HG3' ' CD2' ' A' ' 166' ' ' PHE . 0.1 OUTLIER 77.88 40.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.294 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -144.19 114.09 7.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.574 1.172 . . . . 0.0 110.327 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' MET . . . . . 0.493 ' C ' ' CD1' ' A' ' 153' ' ' PHE . 0.1 OUTLIER -126.8 152.93 46.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.516 ' N ' ' CD1' ' A' ' 153' ' ' PHE . 0.1 OUTLIER -128.61 173.73 10.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.394 1.059 . . . . 0.0 111.04 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . 0.567 ' HB3' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -159.76 121.14 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 110.264 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 54.01 41.1 32.16 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.571 1.169 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 4.5 t70 70.11 50.67 0.43 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.152 . . . . 0.0 109.317 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -154.43 104.11 2.38 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.07 . . . . 0.0 110.202 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 139.46 24.04 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.508 1.794 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' MET . . . . . 0.465 ' CG ' ' SD ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -140.23 145.16 40.38 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 111.028 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.15 174.09 13.39 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.782 . . . . 0.0 110.914 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 8.7 mt -134.72 111.06 9.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 7.2 m -62.34 143.13 57.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.396 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 10.5 m -40.08 -37.02 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.958 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -70.36 -56.26 7.91 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -54.1 -63.21 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.36 0.682 . . . . 0.0 110.238 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.491 ' CD2' ' HG3' ' A' ' 150' ' ' ARG . 5.8 t80 -46.54 -53.53 11.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -55.49 -60.92 2.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.455 ' CG2' HD12 ' A' ' 201' ' ' ILE . 37.9 t -50.8 -60.38 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.465 ' CD2' HD13 ' A' ' 145' ' ' LEU . 0.8 OUTLIER -49.89 -45.06 50.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 174' ' ' SER . 0.1 OUTLIER -52.85 -58.97 5.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 109.254 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -57.24 -23.92 51.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.402 ' CD1' HD23 ' A' ' 185' ' ' LEU . 6.4 tp -79.49 -49.53 12.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 5.5 p -80.04 0.15 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 174' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 170' ' ' LYS . 40.7 t -84.23 -28.25 27.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.095 . . . . 0.0 110.018 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . 0.405 ' ND1' HD11 ' A' ' 180' ' ' LEU . 0.2 OUTLIER -125.35 92.37 47.17 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.521 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 132.57 15.53 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.456 1.766 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 72.87 -58.32 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -57.28 109.45 1.75 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.155 . . . . 0.0 110.344 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 179' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 140.58 25.51 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.508 1.794 . . . . 0.0 111.0 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . 0.405 HD11 ' ND1' ' A' ' 175' ' ' HIS . 2.8 mp -124.56 154.31 40.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 181' ' ' SER . . . . . 0.463 ' O ' ' CD1' ' A' ' 185' ' ' LEU . 51.8 p -74.54 161.08 30.09 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.548 1.155 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -37.88 63.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.84 -49.46 38.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -49.2 -27.14 3.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.064 . . . . 0.0 109.237 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . 0.463 ' CD1' ' O ' ' A' ' 181' ' ' SER . 2.6 mp -70.56 -62.64 1.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.362 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 186' ' ' MET . . . . . 0.406 ' HG3' ' N ' ' A' ' 187' ' ' ASN . 1.7 ppp? -64.93 -18.37 65.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.59 1.182 . . . . 0.0 111.016 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 187' ' ' ASN . . . . . 0.406 ' N ' ' HG3' ' A' ' 186' ' ' MET . 2.5 t30 -79.86 -53.47 6.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.384 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 9.8 tt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.936 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.606 ' CG2' ' CE2' ' A' ' 230' ' ' TYR . 2.5 mm -61.65 -59.11 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.405 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -46.36 -31.15 2.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 69.7 t -79.7 -50.39 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.122 . . . . 0.0 109.401 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 204' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -59.32 -38.82 81.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.481 HG13 ' CD1' ' A' ' 230' ' ' TYR . 21.3 mm -63.12 -62.41 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.366 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 3.9 t -44.99 -53.25 7.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.043 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -58.19 -27.59 64.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 208' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 205' ' ' ILE . 15.8 mt -80.13 -54.56 5.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 209' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 213' ' ' GLU . 19.1 mtm105 -42.47 -47.65 5.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.358 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -34.5 73.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 211' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 208' ' ' LEU . 0.0 OUTLIER -69.05 -57.31 5.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 212' ' ' VAL . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 143' ' ' PHE . 34.9 m -72.1 -35.6 53.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 209' ' ' ARG . 14.4 mm-40 -128.1 92.75 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 11.5 pm0 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 110.989 -0.427 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.7 -46.88 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.425 1.078 . . . . 0.0 110.348 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.41 ' CD2' ' HA ' ' A' ' 234' ' ' PRO . 34.5 m-85 -88.46 20.19 3.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 222' ' ' ILE . . . . . 0.531 HD11 ' CE2' ' A' ' 232' ' ' PHE . 16.8 mm -143.6 115.59 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -119.45 93.12 3.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 36.3 m -84.41 119.03 24.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.377 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 225' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 229' ' ' GLY . 30.1 m -129.47 125.57 61.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 6.4 m-90 -66.1 -46.42 77.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -44.81 -25.52 0.94 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.18 -80.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 0.801 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 229' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 176.55 -91.29 0.08 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.477 1.111 . . . . 0.0 111.046 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 230' ' ' TYR . . . . . 0.606 ' CE2' ' CG2' ' A' ' 201' ' ' ILE . 83.8 m-85 -149.91 121.84 8.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 111.003 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 4.8 p -119.36 155.31 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.531 ' CE2' HD11 ' A' ' 222' ' ' ILE . 1.5 t80 -119.71 98.56 6.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 54.0 t -109.11 101.06 43.45 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 234' ' ' PRO . . . . . 0.41 ' HA ' ' CD2' ' A' ' 221' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.42 1.747 . . . . 0.0 111.06 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 145' ' ' LEU . 28.9 mm -147.85 116.76 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -120.82 160.91 22.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.488 ' N ' ' CD1' ' A' ' 140' ' ' PHE . 3.6 m-85 -126.75 -178.81 4.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.94 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.85 -9.44 46.21 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.481 1.113 . . . . 0.0 111.081 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.486 ' HG3' ' CD1' ' A' ' 143' ' ' PHE . 1.9 ptmt -144.09 -48.25 0.28 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 0.779 . . . . 0.0 109.239 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.592 ' CE2' ' O ' ' A' ' 212' ' ' VAL . 48.7 m-85 -75.9 172.17 13.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.534 ' HB3' ' CD2' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -158.86 111.18 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 138' ' ' ILE . 3.1 tt -119.57 148.83 42.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.616 1.197 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -160.89 114.99 2.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.357 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.466 HD12 ' CB ' ' A' ' 170' ' ' LYS . 10.1 mt -82.3 -35.62 27.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.294 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -62.37 -19.22 59.59 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 55.4 m -116.86 -10.7 10.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 110.357 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 54.47 49.88 17.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 110.366 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -148.66 120.36 8.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' MET . . . . . 0.555 ' C ' ' CD1' ' A' ' 153' ' ' PHE . 0.2 OUTLIER -130.29 148.04 52.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.391 1.057 . . . . 0.0 110.931 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -143.45 -179.74 6.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 111.016 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -157.63 101.41 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 55.56 70.23 0.65 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.25 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 54.25 65.56 1.48 Allowed 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 1.0 OUTLIER -159.47 92.79 1.81 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.33 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 129.86 12.84 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.456 1.766 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' MET . . . . . 0.426 ' HE2' ' CG ' ' A' ' 211' ' ' MET . 0.1 OUTLIER -157.52 138.09 9.16 Favored Pre-proline 0 C--N 1.323 -0.553 0 O-C-N 124.471 1.107 . . . . 0.0 111.078 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.03 -171.21 0.92 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.571 1.827 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 80.9 mt -148.49 102.09 3.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 165' ' ' GLU . 4.5 t -42.15 143.42 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 167' ' ' ALA . 9.0 m -39.84 -46.53 1.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.967 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -53.47 -47.04 64.06 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.563 1.165 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 162' ' ' THR . 41.3 mt-10 -73.86 -65.14 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.795 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.458 ' C ' ' CD1' ' A' ' 166' ' ' PHE . 4.0 t80 -43.94 -50.23 8.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 163' ' ' SER . . . -58.64 -60.2 4.2 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 171' ' ' ALA . 9.9 t -51.92 -61.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.443 1.09 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.469 ' C ' ' CD1' ' A' ' 169' ' ' LEU . 1.1 tm? -45.14 -43.71 10.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . 0.466 ' CB ' HD12 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -58.03 -39.37 78.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 168' ' ' VAL . . . -57.37 -54.49 46.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.01 -40.23 84.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.221 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 24.5 t -74.6 -13.64 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.343 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 174' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 170' ' ' LYS . 7.5 t -79.21 -33.24 43.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.939 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . 0.433 ' HB3' ' CB ' ' A' ' 178' ' ' GLU . 11.8 m80 -123.03 88.01 50.97 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.179 . . . . 0.0 109.584 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 118.58 5.33 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 0.0 111.059 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 74.0 22.29 2.42 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.433 ' CB ' ' HB3' ' A' ' 175' ' ' HIS . 1.9 mm-40 -126.67 119.91 22.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 110.243 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 179' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 150.49 37.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.524 1.802 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . 0.486 ' O ' ' CD1' ' A' ' 185' ' ' LEU . 1.6 mp -158.03 136.16 10.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.432 1.083 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 12.0 p -67.65 145.29 54.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . 0.512 ' HB3' ' CE1' ' A' ' 230' ' ' TYR . 0.1 OUTLIER -48.18 -24.38 1.13 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -69.16 -50.26 49.36 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.504 1.127 . . . . 0.0 109.221 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -75.13 -31.66 61.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.365 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . 0.486 ' CD1' ' O ' ' A' ' 180' ' ' LEU . 0.0 OUTLIER -57.95 -58.76 6.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.615 1.197 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 186' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 187' ' ' ASN . 4.0 ptt? -66.49 -33.42 75.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 187' ' ' ASN . . . . . 0.413 ' N ' ' HG3' ' A' ' 186' ' ' MET . 1.7 t30 -66.21 -55.25 17.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 4.5 tp . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.596 1.185 . . . . 0.0 109.282 -179.934 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.467 HD12 ' CD2' ' A' ' 185' ' ' LEU . 4.9 mm -54.2 -56.82 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.29 -35.4 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 87.7 t -80.13 -44.2 22.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 204' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 201' ' ' ILE . 30.7 mm-40 -62.24 -58.99 5.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.37 1.044 . . . . 0.0 110.3 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -52.34 -33.49 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 29.5 t -67.74 -41.22 83.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -75.92 -28.33 57.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.219 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 14.1 mt -74.49 -43.84 54.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.581 1.176 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 209' ' ' ARG . . . . . 0.468 ' CG ' HG23 ' A' ' 222' ' ' ILE . 4.0 mtp180 -56.95 -49.11 76.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.342 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -19.89 62.55 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.604 1.19 . . . . 0.0 110.301 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 211' ' ' MET . . . . . 0.426 ' CG ' ' HE2' ' A' ' 159' ' ' MET . 36.9 ttm -78.82 -48.98 13.73 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 212' ' ' VAL . . . . . 0.592 ' O ' ' CE2' ' A' ' 143' ' ' PHE . 25.2 m -80.71 -33.65 13.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.41 ' N ' HG21 ' A' ' 212' ' ' VAL . 17.1 mm-40 -136.59 -149.45 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.242 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.95 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.898 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -137.23 -50.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.244 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.562 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 26.9 m-85 -90.02 20.02 4.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.586 1.179 . . . . 0.0 110.97 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 222' ' ' ILE . . . . . 0.468 HG23 ' CG ' ' A' ' 209' ' ' ARG . 31.4 mm -144.89 116.64 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 223' ' ' GLN . . . . . 0.422 ' CB ' HG11 ' A' ' 231' ' ' VAL . 0.1 OUTLIER -119.72 80.06 1.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.168 . . . . 0.0 110.23 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 98.7 m -74.58 123.88 25.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 225' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 229' ' ' GLY . 2.2 p -131.31 112.23 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 226' ' ' TRP . . . . . 0.453 ' O ' ' N ' ' A' ' 228' ' ' LEU . 0.8 OUTLIER -58.45 -56.33 23.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 108.012 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -37.51 -30.76 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.448 1.092 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 226' ' ' TRP . 1.0 OUTLIER -115.08 -85.65 0.61 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 0.756 . . . . 0.0 109.298 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 229' ' ' GLY . . . . . 0.594 ' C ' ' CD1' ' A' ' 230' ' ' TYR . . . -173.74 -94.19 0.09 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 230' ' ' TYR . . . . . 0.594 ' CD1' ' C ' ' A' ' 229' ' ' GLY . 35.6 m-85 -151.25 119.53 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 231' ' ' VAL . . . . . 0.422 HG11 ' CB ' ' A' ' 223' ' ' GLN . 2.9 p -119.33 157.66 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 1.5 t80 -122.11 100.36 6.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 53.1 t -112.63 96.24 35.96 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 138' ' ' ILE . 1.4 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.438 ' N ' ' CG2' ' A' ' 137' ' ' VAL . 5.3 mp -134.62 110.47 13.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.408 1.068 . . . . 0.0 109.301 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -129.41 152.51 48.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.734 ' CE2' ' CG ' ' A' ' 143' ' ' PHE . 3.2 p90 -160.18 123.52 3.52 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.475 1.109 . . . . 0.0 110.952 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 64.11 -88.84 0.08 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -123.96 0.23 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.598 0.822 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.734 ' CG ' ' CE2' ' A' ' 140' ' ' PHE . 98.6 m-85 -94.97 138.51 32.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.57 ' HG3' ' CD2' ' A' ' 153' ' ' PHE . 0.3 OUTLIER -147.32 110.26 4.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.454 HD12 ' CD2' ' A' ' 169' ' ' LEU . 4.3 tt -119.79 148.06 43.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.416 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 46.5 t-20 -150.86 114.82 5.01 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.469 1.106 . . . . 0.0 109.226 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 166' ' ' PHE . 10.0 mt -75.61 -43.17 49.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.409 1.068 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -50.7 -26.12 10.17 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 98.4 m -117.16 -11.26 10.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 0.784 . . . . 0.0 110.343 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 16.5 ttp85 53.61 50.06 18.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -144.06 116.38 8.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.341 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' MET . . . . . 0.563 ' C ' ' CD1' ' A' ' 153' ' ' PHE . 12.8 ttt -132.36 149.71 52.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.387 1.055 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.57 ' CD2' ' HG3' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -147.23 179.46 7.62 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . 0.567 ' HG3' ' CE1' ' A' ' 143' ' ' PHE . 0.1 OUTLIER -160.13 104.01 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.202 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 57.22 67.91 0.92 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.482 1.114 . . . . 0.0 110.254 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 5.3 t70 53.4 65.67 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -156.98 91.62 2.44 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.113 . . . . 0.0 110.247 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 124.93 8.98 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.557 1.819 . . . . 0.0 110.986 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' MET . . . . . 0.409 ' HG3' ' O ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -149.28 138.81 12.83 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.436 1.085 . . . . 0.0 110.953 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -163.29 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.403 1.738 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.409 HD22 ' CD1' ' A' ' 145' ' ' LEU . 1.7 mt -141.45 102.99 4.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 161' ' ' LEU . 9.7 m -38.42 152.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 110.387 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 9.0 m -50.72 -37.25 40.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 109.946 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -79.34 -49.2 6.37 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.523 1.139 . . . . 0.0 111.054 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.464 ' CB ' HD23 ' A' ' 208' ' ' LEU . 1.9 mt-10 -53.9 -62.29 1.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 110.276 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 147' ' ' LEU . 6.1 t80 -50.42 -54.52 21.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -57.37 -59.97 4.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 14.5 t -46.11 -47.46 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.359 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.469 ' CD1' HD13 ' A' ' 208' ' ' LEU . 14.8 tp -64.96 -48.76 72.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . 0.457 ' HG3' ' CD1' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -51.19 -36.81 43.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.609 1.193 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -64.95 -44.0 90.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.6 -48.85 45.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 11.5 t -65.56 -19.72 26.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.24 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.84 -35.17 79.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.052 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.81 92.31 40.5 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.614 1.196 . . . . 0.0 109.59 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 176' ' ' PRO . . . . . 0.466 ' O ' ' CB ' ' A' ' 177' ' ' ARG . 18.4 Cg_endo -74.97 111.19 3.27 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.533 1.807 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.466 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 6.2 ttp-105 81.53 30.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.35 114.93 12.6 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 179' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.86 134.93 18.69 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.404 1.739 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . 0.46 ' CD2' HD23 ' A' ' 188' ' ' LEU . 1.2 mp -135.05 164.71 27.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 13.0 t -84.13 153.05 23.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.594 1.184 . . . . 0.0 110.008 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . 0.51 ' O ' ' CD1' ' A' ' 201' ' ' ILE . 1.3 mpp_? -52.18 -35.8 49.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.404 1.065 . . . . 0.0 110.288 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -72.97 -34.96 66.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 109.263 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -65.34 -41.98 93.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.359 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 3.5 mp -54.24 -63.11 1.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 25.6 ttt -39.93 -44.24 1.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.995 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -73.86 -54.53 7.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.46 HD23 ' CD2' ' A' ' 180' ' ' LEU . 1.9 tp . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 200' ' ' SER . . . . . 0.432 ' CB ' ' CG2' ' A' ' 203' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.572 HG21 ' CD2' ' A' ' 230' ' ' TYR . 62.2 mt -93.4 -60.88 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.65 -45.32 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 203' ' ' VAL . . . . . 0.432 ' CG2' ' CB ' ' A' ' 200' ' ' SER . 10.2 m -67.65 -33.77 63.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 204' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 201' ' ' ILE . 0.1 OUTLIER -71.65 -47.38 54.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 110.243 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.56 HG13 ' CD1' ' A' ' 230' ' ' TYR . 22.7 mm -39.96 -31.94 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.374 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 206' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 204' ' ' GLN . 0.2 OUTLIER -79.94 -55.11 5.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.087 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 207' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 211' ' ' MET . 35.9 mmt180 -58.21 -30.25 66.34 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.098 . . . . 0.0 110.265 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 208' ' ' LEU . . . . . 0.469 HD13 ' CD1' ' A' ' 169' ' ' LEU . 3.8 mm? -79.94 -50.08 10.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 209' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 213' ' ' GLU . 20.1 ttm180 -51.76 -53.36 40.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.444 1.09 . . . . 0.0 110.235 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -65.17 -35.02 79.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 211' ' ' MET . . . . . 0.422 ' CG ' ' O ' ' A' ' 207' ' ' ARG . 26.1 mtp -63.62 -50.86 67.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 111.066 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 212' ' ' VAL . . . . . 0.6 ' O ' ' CE1' ' A' ' 143' ' ' PHE . 21.6 m -79.5 -24.6 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.229 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 209' ' ' ARG . 2.1 mm-40 -111.27 -147.43 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.617 1.198 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 110.971 -0.434 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.79 -55.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.596 1.185 . . . . 0.0 110.325 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.564 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 79.2 m-85 -95.15 21.43 7.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 222' ' ' ILE . . . . . . . . . . . . . 17.9 mt -152.94 117.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.618 1.199 . . . . 0.0 109.185 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -125.33 108.98 12.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 224' ' ' THR . . . . . 0.439 ' C ' ' CG2' ' A' ' 225' ' ' VAL . 1.0 OUTLIER -76.93 153.28 34.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.621 1.201 . . . . 0.0 110.39 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 225' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 229' ' ' GLY . 2.2 t -150.85 116.07 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.437 1.086 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -65.72 -45.92 80.86 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -54.26 -39.06 63.33 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.415 1.072 . . . . 0.0 111.024 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 4.8 mt -102.52 -82.86 0.48 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.417 0.716 . . . . 0.0 109.353 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 229' ' ' GLY . . . . . 0.593 ' O ' ' CD1' ' A' ' 230' ' ' TYR . . . 175.4 -75.0 0.08 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 230' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 229' ' ' GLY . 60.8 m-85 -160.1 122.03 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 110.952 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 9.6 p -119.72 152.7 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 4.9 t80 -119.86 97.53 5.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.583 1.177 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 41.1 t -106.52 104.07 49.05 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.25 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.116 0 O-C-N 124.54 1.811 . . . . 0.0 110.998 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 16.2 mm -132.07 108.24 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.8 161.94 19.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.487 ' N ' ' CD1' ' A' ' 140' ' ' PHE . 4.4 m-85 -126.27 -179.47 4.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 111.065 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -59.29 -15.02 29.06 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.566 1.166 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -138.63 -49.88 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -74.07 161.14 30.34 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.537 1.148 . . . . 0.0 111.073 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.33 110.18 4.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.476 ' CD1' ' HG3' ' A' ' 152' ' ' MET . 7.5 tt -119.61 157.34 28.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.448 ' ND2' ' OG1' ' A' ' 149' ' ' THR . 57.2 t-20 -160.47 117.86 2.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 0.0 109.335 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.57 ' HB3' ' CE2' ' A' ' 166' ' ' PHE . 22.8 mt -76.79 -45.57 28.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -56.84 -21.73 38.17 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' THR . . . . . 0.448 ' OG1' ' ND2' ' A' ' 146' ' ' ASN . 96.8 m -113.56 -9.31 13.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.766 . . . . 0.0 110.382 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.52 53.55 9.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.462 ' HB3' ' CE1' ' A' ' 153' ' ' PHE . 3.8 mt-10 -152.76 121.04 6.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.419 1.074 . . . . 0.0 110.296 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' MET . . . . . 0.476 ' HG3' ' CD1' ' A' ' 145' ' ' LEU . 1.1 tmt? -125.95 144.9 50.51 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.462 ' CE1' ' HB3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -148.99 150.59 33.09 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.422 1.077 . . . . 0.0 110.932 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 155' ' ' GLU . 0.8 OUTLIER -119.84 100.21 7.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 110.28 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . 0.526 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 0.3 OUTLIER 87.74 -30.95 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 155' ' ' GLU . 0.2 OUTLIER 161.86 -28.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.351 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' A' ' 153' ' ' PHE . 1.1 tp10 -61.1 126.25 85.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.257 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 131.61 14.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 152' ' ' MET . 8.1 mmm -130.93 107.24 15.2 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 111.053 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 157.65 42.44 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.436 1.756 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.45 103.68 4.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 81.6 m -50.75 164.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 68.6 m -49.12 -53.74 19.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.927 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -50.49 -57.76 10.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.526 1.141 . . . . 0.0 111.059 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.11 -50.1 70.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.506 0.768 . . . . 0.0 110.255 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 147' ' ' LEU . 1.3 t80 -60.01 -40.8 90.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -65.63 -41.66 92.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.461 ' CG1' ' CD1' ' A' ' 205' ' ' ILE . 72.3 t -63.78 -57.3 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.461 ' CD2' HD11 ' A' ' 145' ' ' LEU . 0.6 OUTLIER -60.88 -20.25 61.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . 0.56 ' HG3' ' CE1' ' A' ' 166' ' ' PHE . 0.0 OUTLIER -70.81 -59.34 2.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -47.68 -48.98 28.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 1.4 mt -59.32 -46.81 87.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.238 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 26.6 t -70.88 -10.94 14.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.228 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 174' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 170' ' ' LYS . 0.1 OUTLIER -91.11 0.03 57.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.962 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . 0.5 ' CD2' ' CB ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -154.66 89.4 3.21 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.6 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 126.69 10.18 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 2.4 ttm105 58.17 46.94 15.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.5 ' CB ' ' CD2' ' A' ' 175' ' ' HIS . 0.9 OUTLIER -147.15 117.07 4.45 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 179' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 146.11 32.39 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.484 1.781 . . . . 0.0 111.087 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.79 119.45 8.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.26 158.81 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.032 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.69 -20.35 55.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.64 -46.9 18.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.4 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -65.08 -52.22 56.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.598 1.186 . . . . 0.0 109.305 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.78 -51.21 13.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 2.7 tpt -57.02 -59.48 5.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -43.26 -46.7 6.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 1.072 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 200' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 202' ' ' ASP . 2.3 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.566 HG22 ' CE2' ' A' ' 230' ' ' TYR . 50.2 mt 65.92 -74.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 202' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 200' ' ' SER . 0.0 OUTLIER -40.28 -31.32 0.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.399 1.062 . . . . 0.0 109.285 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 203' ' ' VAL . . . . . 0.417 ' N ' ' C ' ' A' ' 201' ' ' ILE . 3.4 t -73.22 -55.35 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.589 1.181 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 204' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 201' ' ' ILE . 11.9 mm-40 -63.23 -48.11 79.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.252 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.461 ' CD1' ' CG1' ' A' ' 168' ' ' VAL . 28.7 mm -46.7 -42.23 5.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.569 1.168 . . . . 0.0 109.368 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 42.4 m -61.96 -41.68 98.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.095 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -73.37 -33.93 65.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.44 1.088 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 52.0 mt -68.85 -28.23 66.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 209' ' ' ARG . . . . . 0.469 ' CG ' HG23 ' A' ' 222' ' ' ILE . 0.1 OUTLIER -70.13 -57.89 4.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.338 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.15 -15.31 32.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.266 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -79.17 -60.38 2.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 212' ' ' VAL . . . . . . . . . . . . . 31.5 m -76.84 -30.56 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 209' ' ' ARG . 7.4 mm-40 -141.65 101.38 3.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.155 . . . . 0.0 110.272 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.346 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.941 0 N-CA-C 111.074 -0.395 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 220' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 233' ' ' VAL . 0.1 OUTLIER -162.05 -40.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 110.336 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.415 ' CD2' ' HA ' ' A' ' 234' ' ' PRO . 70.1 m-85 -77.98 9.36 3.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 222' ' ' ILE . . . . . 0.503 HD13 ' CE2' ' A' ' 232' ' ' PHE . 6.5 mm -140.21 108.19 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.39 1.056 . . . . 0.0 109.225 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 223' ' ' GLN . . . . . 0.437 ' CB ' HG13 ' A' ' 231' ' ' VAL . 1.5 mt-30 -120.98 85.26 2.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 224' ' ' THR . . . . . 0.448 HG22 ' CZ3' ' A' ' 226' ' ' TRP . 51.9 m -80.33 116.09 20.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.426 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 225' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 229' ' ' GLY . 3.8 t -108.43 117.27 53.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 226' ' ' TRP . . . . . 0.448 ' CZ3' HG22 ' A' ' 224' ' ' THR . 1.2 m-90 -64.02 -50.72 67.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 108.039 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -55.7 -49.94 63.22 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.431 1.082 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -82.19 -79.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 109.37 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 229' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 176.52 -95.03 0.1 OUTLIER Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.44 1.087 . . . . 0.0 110.978 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 230' ' ' TYR . . . . . 0.566 ' CE2' HG22 ' A' ' 201' ' ' ILE . 91.5 m-85 -150.48 116.21 5.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 0.731 . . . . 0.0 111.004 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 231' ' ' VAL . . . . . 0.437 HG13 ' CB ' ' A' ' 223' ' ' GLN . 7.6 p -120.01 146.6 24.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.503 ' CE2' HD13 ' A' ' 222' ' ' ILE . 4.7 t80 -119.96 93.83 4.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 233' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 220' ' ' ARG . 97.4 t -101.3 108.16 53.81 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 109.375 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 234' ' ' PRO . . . . . 0.415 ' HA ' ' CD2' ' A' ' 221' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.485 ' HB ' ' CB ' ' A' ' 146' ' ' ASN . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.452 ' N ' HG21 ' A' ' 137' ' ' VAL . 4.4 mm -135.91 113.19 14.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.4 163.78 16.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.677 ' N ' ' CD1' ' A' ' 140' ' ' PHE . 0.0 OUTLIER -142.67 -177.8 5.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 111.005 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -34.89 -88.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -103.3 38.82 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.416 0.715 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.535 ' HB3' ' CD1' ' A' ' 140' ' ' PHE . 4.0 t80 -147.11 149.7 33.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -140.8 145.73 36.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.49 ' CD1' ' HE1' ' A' ' 152' ' ' MET . 0.2 OUTLIER -156.68 145.07 19.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.485 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 59.7 t-20 -150.38 118.98 6.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 166' ' ' PHE . 1.0 OUTLIER -79.24 -46.6 17.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -56.28 -19.03 23.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.543 1.152 . . . . 0.0 111.076 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 24.7 m -113.15 -13.84 12.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 110.446 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 53.88 50.31 17.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -144.25 119.21 9.98 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.529 1.143 . . . . 0.0 110.348 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' MET . . . . . 0.49 ' HE1' ' CD1' ' A' ' 145' ' ' LEU . 4.7 ttm -118.6 150.98 38.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.697 ' N ' ' CD1' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -151.56 154.77 37.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 111.051 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.59 122.31 7.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 110.305 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . 0.424 ' C ' ' N ' ' A' ' 157' ' ' GLU . 2.0 mt-10 72.98 62.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 42.51 28.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.594 1.183 . . . . 0.0 109.339 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 155' ' ' GLU . 19.2 mt-10 -132.98 143.49 48.82 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 159.04 41.91 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.595 1.839 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 152' ' ' MET . 0.1 OUTLIER -160.0 119.17 1.62 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 111.073 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 179.21 6.3 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.541 1.811 . . . . 0.0 111.04 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -160.07 120.76 3.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 62.4 m -57.91 167.45 1.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 110.387 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 72.8 m -68.8 -38.78 80.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.587 1.18 . . . . 0.0 109.928 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -54.04 -39.76 64.2 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.115 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 167' ' ' ALA . 0.6 OUTLIER -71.75 -65.94 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 0.785 . . . . 0.0 110.226 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 147' ' ' LEU . 5.7 t80 -40.74 -27.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 165' ' ' GLU . . . -66.16 -63.55 1.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 171' ' ' ALA . 19.6 t -70.58 -47.59 63.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.504 ' CD2' ' O ' ' A' ' 169' ' ' LEU . 0.1 OUTLIER -47.93 -36.73 12.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 174' ' ' SER . 72.3 tttt -79.61 -30.0 41.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.155 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 168' ' ' VAL . . . -72.32 -33.64 67.5 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.544 1.152 . . . . 0.0 109.37 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.458 HD12 ' CD1' ' A' ' 205' ' ' ILE . 0.2 OUTLIER -77.2 -48.02 18.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.78 -10.42 13.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 174' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 170' ' ' LYS . 0.5 OUTLIER -65.98 -33.35 75.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.551 1.157 . . . . 0.0 109.986 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -135.05 94.26 16.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.413 1.071 . . . . 0.0 109.637 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 136.71 20.87 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.488 1.783 . . . . 0.0 110.994 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.24 23.67 9.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.343 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.42 108.87 13.48 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 179' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 139.37 24.11 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.498 1.789 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 33.0 mt -131.54 145.96 51.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 181' ' ' SER . . . . . 0.418 ' O ' ' CD1' ' A' ' 185' ' ' LEU . 15.2 p -70.01 149.65 47.47 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 1.11 . . . . 0.0 109.939 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.32 -38.86 1.95 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.94 -53.61 12.56 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -44.8 -42.97 8.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . 0.465 ' CB ' HD11 ' A' ' 201' ' ' ILE . 5.0 mp -54.7 -63.77 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.411 1.069 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 16.6 tpt -56.27 -43.35 78.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -59.67 -55.12 38.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.226 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.65 ' CG2' ' CE2' ' A' ' 230' ' ' TYR . 3.2 mm -95.49 -80.73 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.46 -30.34 0.07 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.394 1.059 . . . . 0.0 109.35 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 203' ' ' VAL . . . . . 0.446 ' N ' ' C ' ' A' ' 201' ' ' ILE . 40.9 t -71.04 -60.2 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.248 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 204' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 207' ' ' ARG . 47.7 mm-40 -64.24 -44.99 90.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.347 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.468 ' O ' ' CB ' ' A' ' 209' ' ' ARG . 6.9 mm -42.41 -48.89 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.221 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.84 -38.11 89.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 109.947 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 207' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 204' ' ' GLN . 10.3 mtt180 -68.23 -52.64 31.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.597 1.185 . . . . 0.0 110.353 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 208' ' ' LEU . . . . . 0.462 ' CD1' HD12 ' A' ' 222' ' ' ILE . 0.4 OUTLIER -67.83 -31.5 71.39 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.564 1.165 . . . . 0.0 109.312 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 209' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 205' ' ' ILE . 38.9 ttm180 -62.84 -61.37 2.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.42 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 23.6 ttt-85 -55.35 -24.93 32.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 1.8 ttp -63.62 -56.89 12.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 212' ' ' VAL . . . . . 0.449 ' CG1' ' HE3' ' A' ' 152' ' ' MET . 21.3 m -79.55 -25.89 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 214' ' ' GLU . 31.5 mm-40 -109.79 -147.32 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 110.252 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . 0.403 ' CG ' ' O ' ' A' ' 213' ' ' GLU . 60.3 mt-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.836 0 N-CA-C 111.017 -0.417 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -156.2 -51.66 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 110.343 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.458 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 22.5 m-85 -96.86 21.39 9.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 222' ' ' ILE . . . . . 0.462 HD12 ' CD1' ' A' ' 208' ' ' LEU . 7.8 mt -154.79 116.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.416 1.072 . . . . 0.0 109.38 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -122.93 95.96 4.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 1.6 m -73.85 143.4 45.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.456 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 225' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 229' ' ' GLY . 0.2 OUTLIER -149.92 110.41 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 28.8 m95 -55.06 -40.98 70.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 108.003 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -55.38 -21.79 28.17 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.635 1.21 . . . . 0.0 111.046 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 23.0 mt -123.95 -81.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.779 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 229' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 172.65 -82.89 0.08 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 230' ' ' TYR . . . . . 0.65 ' CE2' ' CG2' ' A' ' 201' ' ' ILE . 87.3 m-85 -155.64 123.27 5.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 0.768 . . . . 0.0 111.079 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 1.3 p -119.39 163.39 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.458 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 5.3 t80 -136.43 107.89 6.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 111.023 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 98.2 t -111.97 96.95 36.3 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.112 0 O-C-N 124.45 1.763 . . . . 0.0 110.936 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.43 HG21 ' N ' ' A' ' 138' ' ' ILE . 1.4 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.43 ' N ' HG21 ' A' ' 137' ' ' VAL . 2.5 mp -134.99 113.32 15.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.445 1.091 . . . . 0.0 109.217 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.76 159.96 23.52 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.492 ' O ' ' C ' ' A' ' 141' ' ' GLY . 4.4 m-85 -132.34 -177.75 4.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -30.53 -80.96 0.01 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.537 ' C ' ' CD1' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -110.48 46.14 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.599 ' CD1' ' N ' ' A' ' 143' ' ' PHE . 0.6 OUTLIER -146.6 168.22 21.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.393 1.058 . . . . 0.0 110.978 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.17 116.16 2.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.485 ' CD2' ' CD1' ' A' ' 147' ' ' LEU . 1.4 tt -121.87 154.02 37.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.418 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 63.8 t-20 -159.86 118.41 2.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.589 1.181 . . . . 0.0 109.31 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.539 ' N ' ' CD1' ' A' ' 147' ' ' LEU . 1.3 mp -78.48 -45.87 21.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.365 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -58.12 -19.53 38.94 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.443 1.089 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 15.8 m -112.03 -22.27 11.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 0.718 . . . . 0.0 110.374 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 57.88 45.55 18.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.166 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -143.65 114.51 7.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.374 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' MET . . . . . 0.464 ' HG3' ' CD1' ' A' ' 145' ' ' LEU . 0.0 OUTLIER -123.78 145.65 48.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.61 1.194 . . . . 0.0 111.059 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -144.1 172.45 12.87 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 0.0 111.063 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . 0.522 ' HG3' ' CD2' ' A' ' 143' ' ' PHE . 0.8 OUTLIER -160.18 122.95 3.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 0.0 110.357 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 53.43 51.04 16.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.24 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 62.73 31.6 16.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . 0.4 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 6.3 tt0 -126.02 98.51 33.18 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 147.11 33.5 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.471 1.774 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' MET . . . . . 0.402 ' HA ' ' HD3' ' A' ' 160' ' ' PRO . 0.4 OUTLIER -160.12 135.85 6.03 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.508 1.13 . . . . 0.0 110.951 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 159' ' ' MET . 18.2 Cg_endo -75.02 -175.89 2.6 Favored 'Trans proline' 0 C--N 1.362 1.244 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 5.0 mt -142.96 109.51 5.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.179 . . . . 0.0 109.29 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 29.6 m -50.52 151.45 2.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.461 1.1 . . . . 0.0 110.342 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 32.9 m -47.61 -31.37 4.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.942 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.48 ' O ' ' CG2' ' A' ' 168' ' ' VAL . . . -73.81 -53.29 7.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.349 1.031 . . . . 0.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -58.12 -63.47 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 110.307 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.516 ' CE2' ' HA ' ' A' ' 147' ' ' LEU . 6.0 t80 -46.47 -50.77 16.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.088 . . . . 0.0 111.028 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -62.46 -53.36 56.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 164' ' ' GLY . 43.0 t -52.58 -61.04 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.533 1.145 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 1.7 tt -57.5 -35.7 70.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 174' ' ' SER . 13.3 ttpp -59.44 -37.45 78.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.427 ' HB2' ' CD2' ' A' ' 188' ' ' LEU . . . -75.78 -35.17 60.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 109.309 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.504 ' HB3' ' CD1' ' A' ' 232' ' ' PHE . 1.8 mt -70.74 -57.63 4.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.385 1.053 . . . . 0.0 109.376 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.43 -11.77 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.377 1.048 . . . . 0.0 109.208 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 174' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 170' ' ' LYS . 0.4 OUTLIER -71.9 -35.6 69.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.396 1.06 . . . . 0.0 110.019 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -121.36 85.34 42.36 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.619 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 176' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' A' ' 177' ' ' ARG . 18.5 Cg_endo -74.96 57.76 4.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 111.043 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.445 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 6.3 mtp180 162.8 -49.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.238 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.21 114.3 28.19 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.232 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 179' ' ' PRO . . . . . 0.437 ' CB ' HD11 ' A' ' 228' ' ' LEU . 18.0 Cg_endo -74.99 160.61 39.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . 0.416 ' O ' ' CD1' ' A' ' 185' ' ' LEU . 37.9 mt -143.74 140.54 30.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 91.5 p -69.18 156.55 38.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.17 -38.38 17.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.329 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -73.29 -47.75 40.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.374 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -61.02 -15.42 31.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.364 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . 0.416 ' CD1' ' O ' ' A' ' 180' ' ' LEU . 0.9 OUTLIER -75.87 -64.51 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -66.05 -17.82 64.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -79.9 -60.6 2.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.58 1.175 . . . . 0.0 109.361 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.427 ' CD2' ' HB2' ' A' ' 171' ' ' ALA . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.542 0 O-C-N 124.57 1.169 . . . . 0.0 109.327 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.464 ' CG2' ' CE2' ' A' ' 230' ' ' TYR . 0.8 OUTLIER -43.81 -53.87 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.592 1.182 . . . . 0.0 109.238 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 202' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 201' ' ' ILE . 1.1 t70 -39.99 -69.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 74.9 t -57.42 -55.26 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 204' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -43.46 -30.86 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.567 HG22 ' CD1' ' A' ' 230' ' ' TYR . 18.2 mm -80.31 -56.18 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 8.1 m -49.13 -43.55 41.67 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 207' ' ' ARG . . . . . 0.4 ' CZ ' ' CB ' ' A' ' 207' ' ' ARG . 1.8 ptp180 -72.86 -29.39 63.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.98 -30.13 70.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 209' ' ' ARG . . . . . 0.402 ' NH2' ' HG3' ' A' ' 219' ' ' PRO . 7.1 mtp180 -74.2 -58.99 2.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.29 -26.58 0.83 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.55 1.157 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 43.4 mtp -67.95 -60.66 2.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.378 1.049 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 212' ' ' VAL . . . . . 0.592 ' O ' ' CE2' ' A' ' 143' ' ' PHE . 28.1 m -72.72 -40.8 61.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.207 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.416 ' N ' HG23 ' A' ' 212' ' ' VAL . 0.0 OUTLIER -135.86 105.92 6.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.594 1.184 . . . . 0.0 110.244 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 219' ' ' PRO . . . . . 0.402 ' HG3' ' NH2' ' A' ' 209' ' ' ARG . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 111.061 -0.4 . . . . 0.0 111.061 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.61 -60.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.45 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.557 ' O ' ' CD1' ' A' ' 232' ' ' PHE . 30.5 m-85 -91.35 20.59 5.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.098 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 222' ' ' ILE . . . . . 0.401 ' CG1' ' O ' ' A' ' 221' ' ' TYR . 21.2 mt -152.49 119.3 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -119.62 104.22 10.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 45.3 m -76.13 133.63 40.2 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.397 1.061 . . . . 0.0 110.376 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 225' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 229' ' ' GLY . 0.0 OUTLIER -137.54 107.31 4.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -52.86 -43.21 65.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 108.073 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -59.76 -22.96 58.17 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.456 1.097 . . . . 0.0 110.943 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . 0.437 HD11 ' CB ' ' A' ' 179' ' ' PRO . 5.7 mt -117.56 -87.21 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 0.799 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 229' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 173.5 -83.51 0.08 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 230' ' ' TYR . . . . . 0.567 ' CD1' HG22 ' A' ' 205' ' ' ILE . 75.2 m-85 -154.22 119.32 5.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 0.796 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 231' ' ' VAL . . . . . 0.423 ' C ' ' CD2' ' A' ' 172' ' ' LEU . 9.7 p -119.77 174.53 4.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.572 1.17 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.557 ' CD1' ' O ' ' A' ' 221' ' ' TYR . 0.7 OUTLIER -128.49 103.9 7.39 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 73.5 t -102.03 107.51 52.84 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.575 1.172 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.215 0 O-C-N 124.453 1.765 . . . . 0.0 111.039 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.504 ' CG1' ' CG ' ' A' ' 146' ' ' ASN . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.449 ' CD1' HG13 ' A' ' 173' ' ' VAL . 3.7 mp -140.4 113.34 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.525 ' O ' ' CD1' ' A' ' 140' ' ' PHE . . . -123.47 165.46 17.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.369 1.043 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.569 ' CD1' ' CE2' ' A' ' 221' ' ' TYR . 6.3 m-85 -143.18 -178.02 5.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 111.077 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.564 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -22.95 -80.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.26 42.82 2.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.598 ' CE2' ' O ' ' A' ' 212' ' ' VAL . 17.2 m-85 -137.78 163.21 31.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.941 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.412 ' HA ' ' CB ' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -161.05 107.46 1.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.376 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.1 tp -120.03 148.01 44.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.504 ' CG ' ' CG1' ' A' ' 137' ' ' VAL . 54.7 t-20 -152.28 116.59 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.362 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.563 HD23 ' CE1' ' A' ' 166' ' ' PHE . 7.7 mt -79.04 -34.91 43.41 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -57.33 -24.95 53.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.13 . . . . 0.0 111.084 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 16.6 m -119.5 -7.14 10.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.751 . . . . 0.0 110.383 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 52.94 50.82 17.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.364 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -143.92 115.8 8.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.381 1.051 . . . . 0.0 110.37 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' MET . . . . . 0.422 ' C ' ' CD1' ' A' ' 153' ' ' PHE . 13.1 ttt -128.12 143.45 51.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 152' ' ' MET . 0.1 OUTLIER -137.61 169.88 17.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 154' ' ' ARG . 17.4 ptt85 -154.9 117.7 4.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 57.46 52.23 8.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.248 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 15.7 t0 63.48 23.48 13.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -122.67 99.14 42.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . 0.405 ' HB3' ' CD1' ' A' ' 153' ' ' PHE . 18.3 Cg_endo -74.92 150.79 39.1 Favored 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.423 1.749 . . . . 0.0 111.017 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.07 144.59 10.87 Favored Pre-proline 0 C--N 1.327 -0.405 0 O-C-N 124.436 1.085 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -171.24 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.544 1.813 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.0 mt -140.63 128.55 21.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.222 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 163' ' ' SER . 56.5 m -72.95 155.18 40.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.363 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 167' ' ' ALA . 0.9 OUTLIER -51.56 -43.18 62.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.979 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.414 ' HA3' ' NE2' ' A' ' 204' ' ' GLN . . . -65.07 -51.39 51.16 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.5 -68.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 0.709 . . . . 0.0 110.297 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.563 ' CE1' HD23 ' A' ' 147' ' ' LEU . 20.0 t80 -43.32 -49.22 6.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 163' ' ' SER . . . -62.41 -57.93 9.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 14.9 t -47.43 -54.61 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.167 . . . . 0.0 109.359 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 170' ' ' LYS . 6.0 tp -61.6 -51.81 66.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 174' ' ' SER . 0.1 OUTLIER -39.97 -43.71 1.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -62.01 -54.79 36.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.427 1.079 . . . . 0.0 109.289 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -45.38 86.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . 0.449 HG13 ' CD1' ' A' ' 138' ' ' ILE . 2.6 t -70.43 -19.93 22.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.441 1.088 . . . . 0.0 109.346 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 174' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 170' ' ' LYS . 30.3 t -81.1 -14.1 58.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 110.068 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.04 86.19 4.92 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.628 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 131.27 14.19 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.553 1.817 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 72.85 11.5 5.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -112.86 99.13 47.4 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 110.219 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 179' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.16 133.73 16.7 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.452 1.764 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . 0.471 ' O ' ' CD1' ' A' ' 185' ' ' LEU . 5.8 mt -135.47 132.58 37.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 73.6 p -47.26 161.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.459 1.1 . . . . 0.0 110.044 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . 0.444 ' CG ' ' HB ' ' A' ' 201' ' ' ILE . 8.4 tmm_? -53.28 -31.55 44.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.98 -56.86 4.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 45.8 mmtt -51.98 -25.01 7.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . 0.471 ' CD1' ' O ' ' A' ' 180' ' ' LEU . 0.3 OUTLIER -67.98 -65.82 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.255 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 13.0 ptm -58.6 -21.28 52.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -69.72 -46.22 66.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.618 1.199 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.547 HG22 ' CE2' ' A' ' 230' ' ' TYR . 16.4 mm -54.0 -65.36 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.58 -53.18 2.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.387 1.055 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 86.6 t -50.71 -63.17 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.365 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 204' ' ' GLN . . . . . 0.414 ' NE2' ' HA3' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -53.11 -53.97 42.5 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.578 HG13 ' CD2' ' A' ' 230' ' ' TYR . 27.7 mm -41.47 -49.92 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 8.4 t -55.33 -46.65 76.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.077 . . . . 0.0 109.996 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -68.71 -35.61 77.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.428 1.08 . . . . 0.0 110.327 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 12.7 mt -70.77 -32.05 69.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 209' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 -65.09 -50.62 65.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.383 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.92 -16.84 63.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 14.9 mtp -78.47 -57.76 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 111.046 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 212' ' ' VAL . . . . . 0.598 ' O ' ' CE2' ' A' ' 143' ' ' PHE . 27.0 m -75.75 -28.11 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.365 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 220' ' ' ARG . 0.6 OUTLIER -123.06 -148.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 110.272 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.948 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.454 -0.843 0 N-CA-C 111.056 -0.401 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 220' ' ' ARG . . . . . 0.45 ' N ' ' OE1' ' A' ' 213' ' ' GLU . 0.1 OUTLIER -143.93 -51.69 0.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 1.144 . . . . 0.0 110.349 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 232' ' ' PHE . 54.0 m-85 -89.64 21.12 3.62 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.591 1.182 . . . . 0.0 111.02 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 222' ' ' ILE . . . . . 0.489 HD11 ' CD2' ' A' ' 232' ' ' PHE . 26.3 mm -148.05 116.33 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -119.79 94.65 4.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 110.353 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 91.3 m -79.05 112.7 16.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.462 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 225' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 229' ' ' GLY . 2.4 t -106.09 95.54 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -60.01 -20.5 58.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 108.045 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -80.58 -19.87 67.51 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.3 -73.23 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 0.753 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 229' ' ' GLY . . . . . 0.61 ' C ' ' CD1' ' A' ' 230' ' ' TYR . . . -177.58 -102.18 0.15 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.138 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 230' ' ' TYR . . . . . 0.61 ' CD1' ' C ' ' A' ' 229' ' ' GLY . 21.0 m-85 -151.89 121.39 6.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 0.772 . . . . 0.0 110.998 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 9.9 p -119.08 174.02 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.395 1.06 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 221' ' ' TYR . 5.8 t80 -136.77 109.26 7.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 81.2 t -113.49 94.75 33.38 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.141 . . . . 0.0 109.25 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo . . . . . 0 C--N 1.361 1.196 0 O-C-N 124.431 1.753 . . . . 0.0 111.038 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.417 HG23 ' N ' ' A' ' 138' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.544 HG22 ' CZ ' ' A' ' 140' ' ' PHE . 3.3 mp -139.41 115.26 8.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.45 1.094 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.8 158.52 26.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.634 ' N ' ' CD1' ' A' ' 140' ' ' PHE . 0.3 OUTLIER -134.11 -177.91 4.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.406 1.066 . . . . 0.0 111.055 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -34.53 -79.88 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.13 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.626 ' C ' ' CD1' ' A' ' 143' ' ' PHE . 27.7 mttp -110.92 49.65 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 0.769 . . . . 0.0 109.206 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.626 ' CD1' ' C ' ' A' ' 142' ' ' LYS . 0.8 OUTLIER -152.52 168.78 24.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.956 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -160.57 116.55 2.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.471 HD13 ' CD2' ' A' ' 169' ' ' LEU . 1.7 tt -123.9 159.42 29.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 148' ' ' GLY . 35.9 t-20 -160.4 114.22 2.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.36 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.8 mt -75.98 -41.1 52.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.234 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . 0.426 ' N ' ' OD1' ' A' ' 146' ' ' ASN . . . -60.69 -18.62 52.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.542 1.151 . . . . 0.0 111.06 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 75.7 m -117.11 -9.09 11.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.594 0.82 . . . . 0.0 110.447 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 49.61 52.07 15.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.568 1.168 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.95 123.57 6.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' MET . . . . . 0.562 ' C ' ' CD1' ' A' ' 153' ' ' PHE . 13.6 ttt -131.0 152.86 49.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.634 1.209 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -143.32 159.88 41.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 111.023 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.59 116.45 5.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 68.48 54.61 0.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 110.241 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 50.42 59.08 4.83 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -152.13 102.11 2.81 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 130.83 13.65 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.464 1.771 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -159.48 136.82 7.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -163.49 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.438 1.757 . . . . 0.0 111.058 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -160.08 129.91 5.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.584 1.178 . . . . 0.0 109.329 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 4.2 p -43.89 167.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.548 1.155 . . . . 0.0 110.382 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 17.7 m -67.61 -55.22 14.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.983 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -46.17 -47.68 15.48 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.534 1.146 . . . . 0.0 110.971 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -58.58 -49.18 78.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 0.748 . . . . 0.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.453 ' C ' ' CD1' ' A' ' 166' ' ' PHE . 4.5 t80 -61.9 -51.32 68.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -54.48 -62.13 1.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 109.208 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 71.3 t -50.75 -60.21 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.42 1.075 . . . . 0.0 109.35 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.471 ' CD2' HD13 ' A' ' 145' ' ' LEU . 4.2 tp -48.02 -57.62 5.53 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 174' ' ' SER . 0.4 OUTLIER -54.04 -35.51 62.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -60.4 -42.17 95.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.225 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.15 -37.44 57.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . 0.466 HG12 ' CD1' ' A' ' 138' ' ' ILE . 53.8 t -80.09 -0.95 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.423 1.077 . . . . 0.0 109.34 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 174' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 170' ' ' LYS . 0.8 OUTLIER -96.4 -22.25 17.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.944 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -121.89 87.4 46.78 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.586 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 122.93 7.52 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.523 1.802 . . . . 0.0 111.08 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 16.2 ttt-85 63.33 35.04 12.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.33 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -135.83 100.53 10.94 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.345 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 179' ' ' PRO . . . . . 0.458 ' CG ' ' HG ' ' A' ' 228' ' ' LEU . 18.1 Cg_endo -75.03 138.56 23.11 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.553 1.817 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 27.3 mt -143.49 134.14 25.05 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 0.0 109.429 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 181' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 184' ' ' LYS . 45.9 p -59.48 146.4 40.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . 0.573 ' HB3' ' CE1' ' A' ' 230' ' ' TYR . 0.0 OUTLIER -44.94 -33.37 1.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . 0.525 ' N ' ' CD ' ' A' ' 182' ' ' ARG . 2.9 t70 -64.31 -42.42 96.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 184' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 181' ' ' SER . 0.0 OUTLIER -62.09 -48.66 79.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . 0.458 ' CD2' HD11 ' A' ' 201' ' ' ILE . 4.0 mp -44.49 -47.47 10.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.22 -52.28 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -48.97 -31.29 7.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 4.4 tp . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.967 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 200' ' ' SER . . . . . 0.423 ' O ' ' CG ' ' A' ' 204' ' ' GLN . 18.7 t . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.559 HG23 ' CE2' ' A' ' 230' ' ' TYR . 1.4 mm -98.99 -60.99 2.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.9 -33.82 1.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.574 1.171 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 203' ' ' VAL . . . . . 0.424 ' CG1' ' N ' ' A' ' 204' ' ' GLN . 0.4 OUTLIER -80.1 -44.94 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 204' ' ' GLN . . . . . 0.424 ' N ' ' CG1' ' A' ' 203' ' ' VAL . 17.4 mm-40 -57.95 -61.95 2.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.424 ' O ' ' CG ' ' A' ' 209' ' ' ARG . 1.8 pt -49.55 -34.73 8.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 3.3 m -67.58 -38.72 84.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.971 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -80.31 -25.39 39.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.322 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 54.8 mt -77.02 -49.85 14.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 209' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' A' ' 205' ' ' ILE . 0.1 OUTLIER -62.7 -28.63 70.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -36.2 71.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.358 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 1.4 mmm -65.17 -45.68 83.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 111.088 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 212' ' ' VAL . . . . . 0.485 ' O ' ' CE2' ' A' ' 143' ' ' PHE . 29.7 m -80.18 -28.51 12.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.375 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -113.2 -147.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.87 -60.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 110.269 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.47 ' O ' ' CD1' ' A' ' 232' ' ' PHE . 44.4 m-85 -87.94 21.87 2.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.11 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 222' ' ' ILE . . . . . . . . . . . . . 14.0 mt -150.62 115.91 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.206 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -121.0 91.85 3.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.372 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 224' ' ' THR . . . . . 0.413 ' OG1' ' CD1' ' A' ' 205' ' ' ILE . 98.3 m -72.86 112.42 8.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.484 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 225' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 229' ' ' GLY . 3.0 t -105.08 125.97 60.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 109.366 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -74.21 -34.22 63.63 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -76.79 -19.52 77.61 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . 0.458 ' HG ' ' CG ' ' A' ' 179' ' ' PRO . 0.2 OUTLIER -114.54 -76.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.78 . . . . 0.0 109.249 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 229' ' ' GLY . . . . . 0.572 ' C ' ' CD1' ' A' ' 230' ' ' TYR . . . 162.96 -87.84 0.1 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 230' ' ' TYR . . . . . 0.573 ' CE1' ' HB3' ' A' ' 182' ' ' ARG . 37.2 m-85 -149.84 118.38 6.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.404 0.708 . . . . 0.0 111.013 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 1.4 p -119.62 155.56 22.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.47 ' CD1' ' O ' ' A' ' 221' ' ' TYR . 42.2 t80 -122.59 100.86 7.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 96.3 t -110.96 98.49 38.84 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 109.215 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.451 1.764 . . . . 0.0 110.999 179.958 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.484 ' CG1' ' CG ' ' A' ' 146' ' ' ASN . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.516 ' CG2' ' CE1' ' A' ' 140' ' ' PHE . 3.0 mp -146.11 115.14 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -122.81 159.88 27.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.583 ' O ' ' C ' ' A' ' 141' ' ' GLY . 6.2 m-85 -134.93 -176.77 4.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.583 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -21.14 -83.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.549 1.155 . . . . 0.0 110.992 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.56 31.33 6.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 0.735 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.587 ' CD2' ' HG3' ' A' ' 154' ' ' ARG . 1.9 m-85 -122.66 166.05 15.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 153' ' ' PHE . 0.1 OUTLIER -160.78 110.41 1.7 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.459 1.1 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 138' ' ' ILE . 1.4 tt -120.79 151.25 39.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.484 ' CG ' ' CG1' ' A' ' 137' ' ' VAL . 52.9 t-20 -155.54 121.02 4.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.489 ' HB3' ' CE2' ' A' ' 166' ' ' PHE . 16.1 mt -80.41 -38.01 31.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -57.83 -27.03 58.74 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.539 1.149 . . . . 0.0 111.094 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 61.0 m -113.37 -15.94 12.56 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.514 0.773 . . . . 0.0 110.404 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 150' ' ' ARG . 9.1 ttp-105 57.89 48.78 12.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 1.067 . . . . 0.0 110.247 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -139.93 112.2 7.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 110.251 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 23.4 ttt -121.37 141.23 51.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 111.064 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 144' ' ' LYS . 0.7 OUTLIER -156.89 167.45 30.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . 0.587 ' HG3' ' CD2' ' A' ' 143' ' ' PHE . 3.5 ttt180 -156.44 113.29 3.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 67.4 57.97 0.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 15.4 t0 53.48 63.44 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 153' ' ' PHE . 3.6 tp10 -151.94 98.93 2.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 121.32 6.51 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.787 . . . . 0.0 110.974 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.61 117.91 21.26 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 154.19 42.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.428 1.752 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.94 137.13 54.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 85.5 m -86.76 156.29 19.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 110.442 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 29.1 p -49.68 -54.24 19.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.036 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -50.68 -56.39 13.74 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.602 1.189 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 208' ' ' LEU . 0.9 OUTLIER -60.63 -68.51 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 0.74 . . . . 0.0 110.314 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.574 ' CE1' ' HG3' ' A' ' 170' ' ' LYS . 1.5 t80 -40.67 -42.75 1.79 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.416 1.073 . . . . 0.0 111.016 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -63.99 -44.44 92.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.358 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 165' ' ' GLU . 10.3 t -60.47 -59.93 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 1.7 tp -58.33 -27.42 64.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.174 . . . . 0.0 109.338 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . 0.574 ' HG3' ' CE1' ' A' ' 166' ' ' PHE . 0.1 OUTLIER -60.65 -65.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.394 1.059 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -44.66 -52.58 8.08 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.552 1.157 . . . . 0.0 109.382 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.81 -53.59 54.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . 0.468 ' CG1' HD13 ' A' ' 138' ' ' ILE . 35.3 t -65.58 -11.32 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 174' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 170' ' ' LYS . 0.6 OUTLIER -83.92 -10.31 58.06 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.394 1.059 . . . . 0.0 110.028 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . 0.421 ' CD2' ' O ' ' A' ' 174' ' ' SER . 6.3 m170 -151.28 89.97 4.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.619 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 125.34 9.25 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 71.53 42.17 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.254 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -145.44 101.15 4.37 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.462 1.101 . . . . 0.0 110.35 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 179' ' ' PRO . . . . . 0.56 ' CG ' ' CD1' ' A' ' 228' ' ' LEU . 18.3 Cg_endo -74.99 146.84 33.16 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.492 1.785 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.57 136.8 24.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 181' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 184' ' ' LYS . 5.0 t -52.28 142.71 16.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.16 -29.21 2.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.24 -39.61 71.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.235 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 184' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 181' ' ' SER . 6.4 mmtt -77.13 -14.22 59.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . 0.591 ' HG ' ' CD2' ' A' ' 230' ' ' TYR . 0.2 OUTLIER -69.69 -66.77 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 17.2 ptm -60.34 -26.49 66.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.16 -60.71 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.197 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.893 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 204' ' ' GLN . 2.9 mp -70.24 -61.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 202' ' ' ASP . . . . . 0.444 ' N ' ' OH ' ' A' ' 230' ' ' TYR . 0.8 OUTLIER -40.61 -35.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 79.8 t -78.77 -46.46 24.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 204' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 201' ' ' ILE . 1.8 mt-30 -60.75 -58.91 6.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.468 HD12 ' CG2' ' A' ' 222' ' ' ILE . 6.8 pt -52.64 -32.53 17.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 109.348 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 206' ' ' SER . . . . . 0.416 ' N ' HG13 ' A' ' 205' ' ' ILE . 1.6 m -67.7 -51.19 52.41 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.438 1.086 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -63.01 -38.63 91.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 208' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 165' ' ' GLU . 75.6 mt -66.85 -30.85 71.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.214 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 209' ' ' ARG . . . . . 0.427 ' HA ' ' NE ' ' A' ' 209' ' ' ARG . 8.2 mmp_? -80.03 -50.75 9.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.401 1.063 . . . . 0.0 110.27 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -43.58 -34.97 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -54.71 -59.5 4.64 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.55 1.156 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 212' ' ' VAL . . . . . 0.423 HG22 ' N ' ' A' ' 213' ' ' GLU . 26.2 m -79.91 -47.05 22.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 109.37 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.423 ' N ' HG22 ' A' ' 212' ' ' VAL . 11.5 mm-40 -90.64 84.82 5.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.221 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.97 0 N-CA-C 111.078 -0.393 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -151.65 -71.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.561 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 56.2 m-85 -92.42 20.6 6.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 222' ' ' ILE . . . . . 0.561 HD11 ' CD2' ' A' ' 232' ' ' PHE . 16.0 mm -148.04 117.02 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -119.67 92.08 3.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.605 1.19 . . . . 0.0 110.337 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 54.2 m -67.71 112.15 4.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 0.0 110.388 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 225' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 229' ' ' GLY . 37.6 t -112.93 136.65 48.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.374 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -72.72 -71.79 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -40.01 -33.37 0.45 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.417 1.073 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . 0.56 ' CD1' ' CG ' ' A' ' 179' ' ' PRO . 7.2 mt -97.99 -85.05 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.742 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 229' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 161.01 -84.77 0.12 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 230' ' ' TYR . . . . . 0.591 ' CD2' ' HG ' ' A' ' 185' ' ' LEU . 38.5 m-85 -142.23 116.52 9.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 0.731 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -119.63 146.98 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.406 1.066 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.561 ' CD2' HD11 ' A' ' 222' ' ' ILE . 4.4 t80 -119.7 99.33 6.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.52 1.137 . . . . 0.0 111.083 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 76.8 t -108.32 101.86 44.15 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.465 1.771 . . . . 0.0 110.976 -179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.457 HG22 ' N ' ' A' ' 138' ' ' ILE . 1.4 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 145' ' ' LEU . 3.6 mp -123.69 100.89 8.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.568 1.167 . . . . 0.0 109.274 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -120.32 135.35 55.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.335 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.451 ' CD2' ' CE2' ' A' ' 221' ' ' TYR . 4.2 p90 -157.04 79.99 0.92 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 129.33 -99.37 0.47 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -133.67 9.93 3.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 0.806 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.92 153.65 48.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.16 138.19 33.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 138' ' ' ILE . 0.8 OUTLIER -123.65 132.09 53.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.399 1.062 . . . . 0.0 109.267 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 150' ' ' ARG . 28.8 t-20 -134.21 112.18 10.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 166' ' ' PHE . 15.6 mt -76.34 -41.7 47.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.172 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -54.19 -25.49 32.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.12 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' THR . . . . . 0.415 ' HB ' ' ND2' ' A' ' 146' ' ' ASN . 20.8 m -119.04 -7.16 10.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 0.764 . . . . 0.0 110.401 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 150' ' ' ARG . 0.0 OUTLIER 45.8 53.91 8.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.644 1.215 . . . . 0.0 110.32 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.458 ' HB3' ' CE2' ' A' ' 153' ' ' PHE . 7.3 mm-40 -144.75 116.01 7.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.157 . . . . 0.0 110.297 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' MET . . . . . 0.471 ' O ' ' N ' ' A' ' 159' ' ' MET . 8.6 ttt -119.28 144.57 46.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 111.082 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.553 ' N ' ' CD1' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -156.45 151.6 26.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.934 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . 0.542 ' O ' ' CB ' ' A' ' 155' ' ' GLU . 0.0 OUTLIER -127.12 103.67 7.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . 0.542 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 5.7 tt0 89.2 -32.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.312 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.434 ' CB ' ' O ' ' A' ' 155' ' ' GLU . 0.9 OUTLIER 160.7 -28.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.45 125.41 85.85 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.389 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.86 147.41 34.56 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.552 1.817 . . . . 0.0 111.036 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' MET . . . . . 0.471 ' N ' ' O ' ' A' ' 152' ' ' MET . 20.0 mtp -140.33 105.11 6.56 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 147.13 33.9 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.411 1.743 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.402 ' CD1' HD11 ' A' ' 145' ' ' LEU . 4.5 mt -121.94 132.96 54.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.38 1.05 . . . . 0.0 109.232 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 32.7 m -78.38 171.56 14.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.539 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 57.9 m -56.31 -50.65 70.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 109.945 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -63.98 -44.98 95.16 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.53 1.144 . . . . 0.0 111.073 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 168' ' ' VAL . 70.4 mt-10 -57.5 -65.97 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.397 0.704 . . . . 0.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.552 ' CE1' ' HG3' ' A' ' 170' ' ' LYS . 2.5 t80 -44.93 -28.18 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 111.071 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -77.46 -41.59 39.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.465 ' CG2' HD12 ' A' ' 201' ' ' ILE . 71.2 t -62.36 -59.61 4.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.501 ' O ' ' CG2' ' A' ' 173' ' ' VAL . 1.6 mt -58.88 -24.16 61.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . 0.552 ' HG3' ' CE1' ' A' ' 166' ' ' PHE . 0.0 OUTLIER -62.3 -67.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.368 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 175' ' ' HIS . . . -50.29 -45.58 54.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.153 . . . . 0.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.22 -43.24 99.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.402 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 169' ' ' LEU . 61.0 t -80.0 -1.7 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.374 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 174' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 170' ' ' LYS . 1.0 OUTLIER -123.47 11.82 9.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 171' ' ' ALA . 10.4 m-70 -123.17 76.07 51.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.567 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 103.07 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.547 1.814 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.407 ' NH1' ' HB3' ' A' ' 177' ' ' ARG . 16.3 ttm105 56.6 48.37 16.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.343 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -156.0 92.53 2.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 179' ' ' PRO . . . . . 0.445 ' CA ' ' HB ' ' A' ' 231' ' ' VAL . 18.4 Cg_endo -74.93 144.23 30.25 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.57 1.826 . . . . 0.0 111.045 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . 0.474 ' O ' ' CD1' ' A' ' 185' ' ' LEU . 2.7 tp -142.74 137.98 30.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.239 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 181' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 184' ' ' LYS . 3.6 m -48.22 137.19 11.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.038 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . 0.521 ' HB3' ' CE1' ' A' ' 230' ' ' TYR . 0.1 OUTLIER -46.33 -26.97 0.92 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -36.69 78.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 184' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 181' ' ' SER . 2.9 mmtm -76.87 -36.7 56.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.387 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . 0.474 ' CD1' ' O ' ' A' ' 180' ' ' LEU . 4.9 mp -53.43 -47.22 69.84 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -75.21 -51.71 12.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 111.047 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -52.04 -57.94 8.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 41.1 tp . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.516 HG23 ' CE2' ' A' ' 230' ' ' TYR . 3.4 mm -55.85 -47.95 78.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.369 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -55.23 37.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 55.8 t -55.17 -59.88 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 204' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.66 -55.75 15.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.245 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.554 HG13 ' CD2' ' A' ' 230' ' ' TYR . 4.6 mm -44.72 -54.02 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.43 -45.51 18.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.944 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.17 -31.52 70.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 208' ' ' LEU . . . . . 0.468 HD13 ' CD1' ' A' ' 169' ' ' LEU . 4.6 mm? -71.45 -29.75 65.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 209' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 213' ' ' GLU . 42.8 mtt180 -66.32 -43.48 86.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -23.32 62.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.345 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 34.3 ttm -70.88 -60.91 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 212' ' ' VAL . . . . . . . . . . . . . 16.0 m -79.96 -32.91 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 209' ' ' ARG . 3.6 mm-40 -122.28 -148.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.325 -179.956 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.451 -0.98 0 N-CA-C 111.049 -0.404 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -129.02 -54.69 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.567 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 87.4 m-85 -88.31 21.62 2.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 222' ' ' ILE . . . . . 0.487 HD11 ' CE2' ' A' ' 232' ' ' PHE . 17.5 mm -142.43 114.24 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.413 1.07 . . . . 0.0 109.308 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 223' ' ' GLN . . . . . 0.441 ' O ' ' CG1' ' A' ' 231' ' ' VAL . 1.1 mt-30 -119.52 81.96 1.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.353 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 224' ' ' THR . . . . . 0.563 HG22 ' CE2' ' A' ' 230' ' ' TYR . 41.7 m -86.21 115.14 23.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 225' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 229' ' ' GLY . 0.0 OUTLIER -118.02 99.01 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 109.294 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 1.9 p90 -50.55 -35.07 28.04 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -60.69 -25.47 63.56 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.516 1.135 . . . . 0.0 111.072 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 5.4 mt -118.78 -74.16 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 0.775 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 229' ' ' GLY . . . . . 0.55 ' C ' ' CD1' ' A' ' 230' ' ' TYR . . . 179.85 -108.5 0.24 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 230' ' ' TYR . . . . . 0.563 ' CE2' HG22 ' A' ' 224' ' ' THR . 30.6 m-85 -147.59 115.27 6.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 0.74 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 231' ' ' VAL . . . . . 0.445 ' HB ' ' CA ' ' A' ' 179' ' ' PRO . 3.3 p -119.65 161.28 19.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 5.0 t80 -124.68 100.6 6.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 55.1 t -106.66 103.61 47.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.118 0 O-C-N 124.469 1.773 . . . . 0.0 110.997 179.942 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.509 ' CG1' ' CG ' ' A' ' 146' ' ' ASN . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.494 HG22 ' CE1' ' A' ' 140' ' ' PHE . 1.9 mp -141.7 111.69 2.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.479 ' CB ' ' HA ' ' A' ' 144' ' ' LYS . . . -124.07 155.05 39.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.508 ' O ' ' C ' ' A' ' 141' ' ' GLY . 7.6 m-85 -129.87 -177.97 4.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 111.027 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.508 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -28.06 -81.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.569 1.168 . . . . 0.0 111.067 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.504 ' C ' ' CD1' ' A' ' 143' ' ' PHE . 1.6 mttt -108.59 43.57 1.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 0.726 . . . . 0.0 109.345 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.581 ' CD2' ' HG3' ' A' ' 154' ' ' ARG . 0.7 OUTLIER -144.02 161.77 37.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.479 ' HA ' ' CB ' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -159.93 108.42 1.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.216 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.465 HD13 ' CD1' ' A' ' 161' ' ' LEU . 5.2 tt -120.13 157.15 29.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.509 ' CG ' ' CG1' ' A' ' 137' ' ' VAL . 56.6 t-20 -156.96 127.02 6.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.53 ' N ' ' CD1' ' A' ' 147' ' ' LEU . 2.0 mp -80.06 -49.44 11.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -53.64 -32.12 46.2 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.452 1.095 . . . . 0.0 111.028 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' THR . . . . . 0.459 ' OG1' ' ND2' ' A' ' 146' ' ' ASN . 85.4 m -102.06 -14.11 17.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 0.737 . . . . 0.0 110.401 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 49.08 52.4 14.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 110.381 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.415 ' HB3' ' CE1' ' A' ' 153' ' ' PHE . 27.7 mm-40 -147.64 117.73 7.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' MET . . . . . 0.537 ' O ' ' CD1' ' A' ' 153' ' ' PHE . 10.2 ttt -125.49 154.93 41.32 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.537 ' CD1' ' O ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -157.89 172.41 18.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 111.0 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . 0.581 ' HG3' ' CD2' ' A' ' 143' ' ' PHE . 0.1 OUTLIER -160.14 123.53 3.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.233 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 57.66 50.81 10.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 2.2 t0 62.2 23.7 14.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.419 1.075 . . . . 0.0 109.236 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 3.1 tm-20 -110.43 103.21 53.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.22 21.4 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.542 1.812 . . . . 0.0 110.93 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 1.5 ptm -160.0 127.82 2.79 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -164.56 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 111.016 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . 0.465 ' CD1' HD13 ' A' ' 145' ' ' LEU . 6.0 mt -143.68 138.54 28.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' THR . . . . . 0.406 HG23 ' N ' ' A' ' 163' ' ' SER . 31.0 m -75.0 149.23 39.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.541 1.151 . . . . 0.0 110.372 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.406 ' N ' HG23 ' A' ' 162' ' ' THR . 50.0 m -45.41 -37.27 4.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.93 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . 0.487 ' O ' ' CG2' ' A' ' 168' ' ' VAL . . . -72.6 -52.01 10.89 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.556 1.16 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 204' ' ' GLN . 0.1 OUTLIER -55.97 -64.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 0.757 . . . . 0.0 110.324 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 147' ' ' LEU . 5.3 t80 -43.87 -50.71 7.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -59.99 -49.38 77.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 164' ' ' GLY . 79.6 t -57.08 -61.49 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.388 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.74 -19.7 42.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 174' ' ' SER . 22.4 tttt -79.89 -55.19 5.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.076 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -61.23 -26.29 67.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 2.3 mt -79.92 -50.69 10.09 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -78.1 0.12 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 174' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 170' ' ' LYS . 7.4 m -95.95 -22.68 17.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.609 1.193 . . . . 0.0 109.942 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . 0.419 ' NE2' ' OE2' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -121.03 89.63 46.31 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.609 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.14 120.02 5.85 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.466 1.771 . . . . 0.0 110.958 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 62.39 31.09 17.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.419 ' OE2' ' NE2' ' A' ' 175' ' ' HIS . 0.2 OUTLIER -131.72 88.61 41.97 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 110.276 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 179' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 138.94 23.9 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.515 1.797 . . . . 0.0 111.042 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . 0.437 ' HB3' ' CB ' ' A' ' 184' ' ' LYS . 6.4 mt -142.53 165.77 26.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.178 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.17 154.75 33.83 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.431 1.082 . . . . 0.0 109.989 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . 0.504 ' HG3' ' CE1' ' A' ' 230' ' ' TYR . 0.0 OUTLIER -51.47 -33.03 29.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.285 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -68.67 -48.81 62.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.181 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 184' ' ' LYS . . . . . 0.437 ' CB ' ' HB3' ' A' ' 180' ' ' LEU . 2.4 mmtt -52.65 -35.6 55.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.243 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . 0.46 ' CD2' HD13 ' A' ' 201' ' ' ILE . 5.4 mp -57.63 -64.47 0.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 21.7 ptm -62.24 -24.33 67.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 111.044 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.76 -32.72 52.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 184' ' ' LYS . 3.8 tt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 200' ' ' SER . . . . . 0.503 ' O ' ' CG ' ' A' ' 204' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.46 HD13 ' CD2' ' A' ' 185' ' ' LEU . 2.8 mm -80.83 -71.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -44.15 -28.74 0.53 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.438 1.086 . . . . 0.0 109.2 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 203' ' ' VAL . . . . . 0.413 ' N ' ' C ' ' A' ' 201' ' ' ILE . 66.7 t -80.08 -55.85 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.215 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 204' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 200' ' ' SER . 14.3 mm-40 -50.24 -58.51 5.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . . . . . . . . . 4.4 pt -48.57 -26.99 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.29 -36.52 58.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 207' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 204' ' ' GLN . 67.1 mtt180 -79.12 -34.22 43.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.382 1.051 . . . . 0.0 110.33 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 17.0 mt -72.1 -31.81 66.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.587 1.179 . . . . 0.0 109.259 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 209' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 213' ' ' GLU . 3.9 mmp_? -72.92 -43.87 61.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.386 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -69.08 -17.82 63.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.345 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 1.5 ttp -75.11 -62.56 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 111.044 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 212' ' ' VAL . . . . . 0.465 ' CG1' ' HE1' ' A' ' 152' ' ' MET . 6.5 m -81.08 -34.46 13.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 209' ' ' ARG . 17.0 mm-40 -115.12 88.61 2.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.339 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.957 0 N-CA-C 110.961 -0.438 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.78 -67.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 232' ' ' PHE . 42.1 m-85 -88.49 21.14 3.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 222' ' ' ILE . . . . . 0.555 HD12 ' CD2' ' A' ' 232' ' ' PHE . 18.9 mm -143.71 117.34 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.387 1.055 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -119.21 88.76 2.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.417 1.073 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 224' ' ' THR . . . . . 0.551 HG23 ' CE2' ' A' ' 230' ' ' TYR . 33.5 m -83.31 113.16 20.51 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.453 1.096 . . . . 0.0 110.364 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 225' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 229' ' ' GLY . 35.0 m -125.36 119.3 55.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -67.0 -33.1 74.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.614 1.197 . . . . 0.0 108.038 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -59.1 -21.9 54.2 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.4 1.063 . . . . 0.0 111.018 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . 0.442 ' CB ' HG22 ' A' ' 225' ' ' VAL . 0.2 OUTLIER -128.53 -76.64 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 0.71 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 229' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 176.67 -115.91 0.53 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.432 1.083 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 230' ' ' TYR . . . . . 0.551 ' CE2' HG23 ' A' ' 224' ' ' THR . 11.7 m-85 -136.06 114.53 11.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.363 0.684 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 231' ' ' VAL . . . . . 0.415 HG21 ' N ' ' A' ' 232' ' ' PHE . 3.1 p -119.47 156.25 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 221' ' ' TYR . 30.0 t80 -119.81 98.77 6.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 111.081 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 73.2 t -106.04 104.35 49.03 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.371 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.12 0 O-C-N 124.558 1.82 . . . . 0.0 110.952 -179.921 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.467 ' HB ' ' CB ' ' A' ' 146' ' ' ASN . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 145' ' ' LEU . 1.4 mm -134.93 107.15 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.494 ' CB ' ' HA ' ' A' ' 144' ' ' LYS . . . -129.87 156.41 44.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 109.239 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 142' ' ' LYS . 0.9 OUTLIER -135.6 79.26 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 57.2 -82.52 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.416 1.073 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 140' ' ' PHE . 0.0 OUTLIER -78.22 -41.62 33.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 109.331 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 212' ' ' VAL . 56.5 m-85 -73.86 162.43 29.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.037 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.494 ' HA ' ' CB ' ' A' ' 139' ' ' ALA . 2.3 ptpp? -160.39 105.28 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 138' ' ' ILE . 0.1 OUTLIER -122.91 159.95 27.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.386 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.467 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 64.7 t-20 -160.23 122.52 3.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.221 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.549 ' HA ' ' CE2' ' A' ' 166' ' ' PHE . 8.6 mp -83.97 -44.26 14.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.219 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -60.02 -13.69 28.12 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' THR . . . . . 0.444 ' HG1' ' ND2' ' A' ' 146' ' ' ASN . 33.6 m -114.6 -33.83 5.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.406 0.71 . . . . 0.0 110.328 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 6.4 ttp85 74.43 42.94 0.29 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.383 1.052 . . . . 0.0 110.329 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -150.41 120.7 7.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' MET . . . . . 0.522 ' C ' ' CD1' ' A' ' 153' ' ' PHE . 10.2 ttt -128.49 142.82 50.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 111.038 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.522 ' CD1' ' C ' ' A' ' 152' ' ' MET . 0.2 OUTLIER -134.47 169.27 17.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 111.042 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . 0.41 ' HG3' ' CE1' ' A' ' 143' ' ' PHE . 1.3 tmt_? -148.56 115.85 6.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.351 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 51.87 62.25 2.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 54.25 61.23 3.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -152.29 102.6 2.77 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.506 1.129 . . . . 0.0 110.375 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 125.34 9.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 6.9 ptm -145.9 130.16 8.72 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 110.948 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -179.74 5.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.538 1.809 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.3 mp -135.49 118.98 16.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 165' ' ' GLU . 19.5 m -53.55 142.62 22.03 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.123 . . . . 0.0 110.409 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.5 p -44.67 -30.28 0.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 110.013 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -74.1 -41.64 38.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 111.042 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 162' ' ' THR . 31.7 mt-10 -62.04 -70.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 0.744 . . . . 0.0 110.314 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.549 ' CE2' ' HA ' ' A' ' 147' ' ' LEU . 4.1 t80 -40.88 -46.0 2.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.933 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -58.68 -61.73 2.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.508 ' CG1' ' CD1' ' A' ' 208' ' ' LEU . 41.6 t -55.06 -55.68 14.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 5.1 tt -49.35 -50.64 39.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 174' ' ' SER . 14.8 tmtt? -53.83 -41.86 67.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 109.274 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 185' ' ' LEU . . . -65.27 -30.02 70.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.465 ' CD2' ' C ' ' A' ' 231' ' ' VAL . 1.4 mt -80.28 -50.11 10.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 1.1 p -78.11 -0.15 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.218 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 174' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 170' ' ' LYS . 0.5 OUTLIER -73.44 -24.9 60.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -146.89 95.7 4.44 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.565 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 176' ' ' PRO . . . . . 0.456 ' O ' ' CB ' ' A' ' 177' ' ' ARG . 18.2 Cg_endo -75.01 138.06 22.5 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.47 1.774 . . . . 0.0 111.043 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.456 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 4.7 ttm180 80.87 -55.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -70.71 115.18 33.02 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.62 1.2 . . . . 0.0 110.259 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 179' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 155.01 42.52 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.552 1.817 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 49.3 mt -132.71 161.96 32.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 181' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 184' ' ' LYS . 28.2 p -84.13 150.09 25.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -47.65 -34.66 8.34 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . 0.43 ' O ' ' ND2' ' A' ' 187' ' ' ASN . 91.9 m-20 -70.04 -36.15 74.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.426 1.079 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 184' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 181' ' ' SER . 0.0 OUTLIER -79.82 -8.76 59.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . 0.425 ' O ' ' CB ' ' A' ' 171' ' ' ALA . 0.1 OUTLIER -78.34 -61.97 1.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -30.95 69.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 187' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 183' ' ' ASP . 52.8 m-20 -63.25 -54.76 32.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.368 -179.97 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.469 HD12 ' CG2' ' A' ' 168' ' ' VAL . 0.3 OUTLIER -42.49 -49.79 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -49.29 -55.45 12.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.368 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 85.3 t -61.45 -51.6 70.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.308 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 204' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -49.55 -51.6 35.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . . . . . . . . . 4.6 mm -48.46 -48.78 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 2.1 t -56.55 -37.67 70.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.17 -19.62 46.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 208' ' ' LEU . . . . . 0.508 ' CD1' ' CG1' ' A' ' 168' ' ' VAL . 5.7 mt -80.47 -53.47 6.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.586 1.179 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 209' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -37.25 76.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.372 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -34.68 76.45 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.448 1.093 . . . . 0.0 110.351 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 211' ' ' MET . . . . . 0.403 ' CE ' ' OE1' ' A' ' 165' ' ' GLU . 11.3 mtp -70.63 -53.46 15.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 212' ' ' VAL . . . . . 0.597 ' O ' ' CE1' ' A' ' 143' ' ' PHE . 25.7 m -72.05 -49.54 43.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -105.58 89.43 3.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.543 1.152 . . . . 0.0 110.253 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.599 1.187 . . . . 0.0 110.292 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.833 0 N-CA-C 110.952 -0.441 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -167.22 -55.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.252 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.533 ' HB3' ' CZ ' ' A' ' 232' ' ' PHE . 96.2 m-85 -89.53 21.45 3.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 222' ' ' ILE . . . . . . . . . . . . . 8.6 mm -142.53 110.1 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.404 1.065 . . . . 0.0 109.266 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -120.73 121.51 38.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 110.249 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 13.3 t -100.8 166.94 10.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 225' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 229' ' ' GLY . 0.0 OUTLIER -160.44 108.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.232 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -53.4 -46.32 69.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.004 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -54.35 -22.16 22.09 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.534 1.147 . . . . 0.0 110.988 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -121.35 -88.78 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 0.782 . . . . 0.0 109.319 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 229' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . -175.94 -87.23 0.07 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.121 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 230' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -152.47 121.08 6.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 111.0 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 231' ' ' VAL . . . . . 0.465 ' C ' ' CD2' ' A' ' 172' ' ' LEU . 7.2 p -119.53 168.83 11.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.533 ' CZ ' ' HB3' ' A' ' 221' ' ' TYR . 5.0 t80 -120.38 97.56 5.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 60.1 t -110.86 112.25 56.01 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.105 0 O-C-N 124.559 1.821 . . . . 0.0 110.981 -179.918 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.505 ' HB ' ' CB ' ' A' ' 146' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 145' ' ' LEU . 28.9 mm -123.17 104.11 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.48 ' CB ' ' HA ' ' A' ' 144' ' ' LYS . . . -120.0 151.65 38.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.445 ' O ' ' C ' ' A' ' 141' ' ' GLY . 3.5 m-85 -125.58 -178.13 4.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -32.91 -87.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.449 1.093 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.568 ' C ' ' CD1' ' A' ' 143' ' ' PHE . 0.3 OUTLIER -98.14 43.73 1.06 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.445 0.732 . . . . 0.0 109.344 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.61 ' CD1' ' N ' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -148.73 166.36 28.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.48 ' HA ' ' CB ' ' A' ' 139' ' ' ALA . 0.1 OUTLIER -160.4 108.91 1.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 109.357 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.441 ' CD1' ' N ' ' A' ' 146' ' ' ASN . 0.1 OUTLIER -120.47 162.04 20.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 0.0 109.253 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.505 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 56.8 t-20 -155.85 118.41 4.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.574 HD22 ' CE1' ' A' ' 166' ' ' PHE . 5.5 mp -82.34 -22.97 35.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -80.38 9.62 47.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' THR . . . . . 0.493 ' O ' ' CB ' ' A' ' 150' ' ' ARG . 0.7 OUTLIER -144.97 -37.82 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 0.787 . . . . 0.0 110.275 -179.898 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 149' ' ' THR . 1.2 mtt180 83.14 43.87 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 153' ' ' PHE . 6.4 mt-10 -137.48 115.18 11.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 159' ' ' MET . 0.2 OUTLIER -119.3 145.24 46.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 110.982 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -150.3 149.9 30.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . 0.563 ' HG3' ' CD2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -145.77 123.17 11.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.089 . . . . 0.0 110.32 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . 0.409 ' C ' ' N ' ' A' ' 157' ' ' GLU . 3.0 tt0 72.18 58.88 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 5.5 t0 45.7 25.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 155' ' ' GLU . 0.2 OUTLIER -125.73 137.96 31.03 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.12 43.05 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.437 1.756 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 152' ' ' MET . 7.5 tpp -160.23 108.97 1.39 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 178.79 6.81 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.385 1.729 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -159.74 123.74 3.77 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.62 1.2 . . . . 0.0 109.237 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' THR . . . . . 0.4 ' OG1' ' N ' ' A' ' 163' ' ' SER . 4.2 t -64.77 176.08 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.36 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' SER . . . . . 0.4 ' N ' ' OG1' ' A' ' 162' ' ' THR . 19.3 m -66.15 -29.43 69.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.589 1.18 . . . . 0.0 110.051 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -62.79 -53.79 38.37 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.525 1.14 . . . . 0.0 110.958 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -55.58 -64.41 0.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.626 0.839 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.574 ' CE1' HD22 ' A' ' 147' ' ' LEU . 3.0 t80 -46.17 -41.76 13.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -55.55 -64.13 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.461 HG12 ' CD1' ' A' ' 201' ' ' ILE . 89.8 t -61.1 -53.91 42.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 1.3 tt -47.95 -59.14 3.57 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.405 1.066 . . . . 0.0 109.247 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . 0.458 ' CB ' ' CD2' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -49.46 -44.03 45.48 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.582 1.177 . . . . 0.0 109.291 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -63.78 -30.56 71.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.393 1.058 . . . . 0.0 109.351 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.458 HD12 ' CD1' ' A' ' 205' ' ' ILE . 0.3 OUTLIER -79.03 -49.98 11.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . 0.453 ' CG1' ' HA ' ' A' ' 170' ' ' LYS . 7.5 p -71.9 -6.53 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.605 1.19 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 41.4 t -61.97 -44.62 96.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.604 1.19 . . . . 0.0 110.004 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -123.72 88.77 51.87 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.604 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 176' ' ' PRO . . . . . 0.422 ' O ' ' CB ' ' A' ' 177' ' ' ARG . 18.3 Cg_endo -75.03 64.96 6.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.463 1.77 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . 0.422 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 0.0 OUTLIER 163.73 -53.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -76.26 130.29 77.98 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.075 . . . . 0.0 110.372 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 179' ' ' PRO . . . . . 0.47 ' CG ' HD13 ' A' ' 228' ' ' LEU . 18.4 Cg_endo -75.05 165.21 31.72 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -137.76 172.1 13.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.565 1.166 . . . . 0.0 109.25 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 39.8 p -108.69 141.96 39.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.03 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -41.75 -32.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 110.253 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -76.67 -56.67 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.409 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -53.67 -28.29 32.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.358 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 201' ' ' ILE . 1.3 mp -63.23 -65.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.279 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 16.8 ptm -59.35 -25.75 64.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.981 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -63.69 -51.7 63.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.388 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.5 HG23 ' CE2' ' A' ' 230' ' ' TYR . 3.8 mm -63.75 -65.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.88 -28.91 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 203' ' ' VAL . . . . . 0.436 ' N ' ' C ' ' A' ' 201' ' ' ILE . 25.3 t -80.22 -52.93 13.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 204' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -60.42 -45.37 93.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.542 HG13 ' CE1' ' A' ' 230' ' ' TYR . 19.0 mm -46.51 -56.47 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 206' ' ' SER . . . . . 0.455 ' O ' ' CB ' ' A' ' 210' ' ' ARG . 40.0 t -51.45 -36.35 43.63 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.404 1.065 . . . . 0.0 110.056 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 207' ' ' ARG . . . . . 0.412 ' NH1' ' NH1' ' A' ' 210' ' ' ARG . 14.2 mmt180 -75.63 -26.39 57.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.388 1.055 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 62.5 mt -79.01 -47.36 16.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 209' ' ' ARG . . . . . 0.454 ' HB3' ' CG2' ' A' ' 222' ' ' ILE . 0.0 OUTLIER -71.49 -33.46 69.28 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 210' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 206' ' ' SER . 1.4 tmt_? -71.55 -27.09 62.92 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.535 1.147 . . . . 0.0 110.235 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -59.78 2.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 212' ' ' VAL . . . . . . . . . . . . . 25.4 m -77.15 -45.08 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -108.23 91.45 3.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 0.0 110.345 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.172 . . . . 0.0 110.283 -179.926 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.903 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -173.66 -73.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.39 1.057 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.545 ' O ' ' CD1' ' A' ' 232' ' ' PHE . 90.3 m-85 -89.86 21.9 3.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 222' ' ' ILE . . . . . 0.454 ' CG2' ' HB3' ' A' ' 209' ' ' ARG . 15.9 mm -144.58 113.73 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -120.38 90.12 3.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 94.9 m -65.87 113.29 4.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.355 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 225' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 229' ' ' GLY . 17.3 t -113.49 109.55 28.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.401 1.063 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -60.31 -49.04 79.19 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -53.26 -37.44 54.95 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . 0.47 HD13 ' CG ' ' A' ' 179' ' ' PRO . 2.9 mt -103.68 -88.23 0.42 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.46 0.741 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 229' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . -178.53 -78.78 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.085 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 230' ' ' TYR . . . . . 0.542 ' CE1' HG13 ' A' ' 205' ' ' ILE . 88.7 m-85 -160.15 123.48 3.52 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.5 0.765 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 14.6 p -119.61 156.55 22.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.545 ' CD1' ' O ' ' A' ' 221' ' ' TYR . 15.1 t80 -120.87 98.48 6.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.09 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 16.3 t -103.85 106.28 52.01 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 234' ' ' PRO . . . . . 0.464 ' HA ' ' CD2' ' A' ' 221' ' ' TYR . 17.9 Cg_endo . . . . . 0 C--N 1.362 1.246 0 O-C-N 124.564 1.823 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.508 ' CG2' ' N ' ' A' ' 138' ' ' ILE . 1.2 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.508 ' N ' ' CG2' ' A' ' 137' ' ' VAL . 8.7 mm -140.01 114.38 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.575 1.172 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.49 ' CB ' ' HA ' ' A' ' 144' ' ' LYS . . . -135.53 156.53 48.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.836 ' CZ ' ' CD1' ' A' ' 143' ' ' PHE . 12.2 p90 -159.24 118.17 2.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 111.096 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 74.11 -93.31 0.77 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.046 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -125.48 1.76 7.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.836 ' CD1' ' CZ ' ' A' ' 140' ' ' PHE . 2.4 t80 -101.14 131.49 47.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.073 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.49 ' HA ' ' CB ' ' A' ' 139' ' ' ALA . 9.1 ptpt -131.32 140.55 49.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 109.232 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.442 ' CD1' ' SD ' ' A' ' 152' ' ' MET . 0.2 OUTLIER -144.35 141.46 29.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 150' ' ' ARG . 49.4 t-20 -144.01 114.46 7.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.547 ' N ' ' CD1' ' A' ' 147' ' ' LEU . 0.5 OUTLIER -72.8 -47.63 44.89 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -51.34 -26.68 14.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 110.941 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' THR . . . . . 0.422 ' HB ' ' ND2' ' A' ' 146' ' ' ASN . 35.2 m -110.44 -14.11 14.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.399 0.705 . . . . 0.0 110.4 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 146' ' ' ASN . 29.5 ttp180 54.03 49.69 18.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 0.0 110.25 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -149.13 120.31 7.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.0 110.269 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' MET . . . . . 0.588 ' CE ' ' CE2' ' A' ' 143' ' ' PHE . 16.1 ptm -136.44 140.58 43.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.57 ' CD1' ' C ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -135.9 173.45 11.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.392 1.058 . . . . 0.0 110.969 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -154.52 102.78 2.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.072 . . . . 0.0 110.289 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 59.35 69.12 0.74 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 53.23 63.43 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -153.98 79.34 5.19 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.585 1.178 . . . . 0.0 110.301 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 126.97 10.27 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.554 1.818 . . . . 0.0 110.961 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' MET . . . . . 0.415 ' HG3' ' O ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -154.39 135.88 9.06 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.5 1.125 . . . . 0.0 110.926 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 -165.95 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.41 1.742 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 12.1 mt -140.78 152.92 45.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 24.6 m -79.71 166.5 21.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 2.2 m -59.71 -58.05 10.27 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -66.03 -30.53 77.15 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.565 1.166 . . . . 0.0 110.974 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . 0.466 ' CG ' HD23 ' A' ' 208' ' ' LEU . 96.0 mt-10 -67.79 -73.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 110.335 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . 0.575 ' C ' ' CD1' ' A' ' 166' ' ' PHE . 0.3 OUTLIER -39.65 -35.02 0.28 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.617 1.198 . . . . 0.0 110.993 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -70.57 -58.82 3.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.457 HG12 ' CG2' ' A' ' 201' ' ' ILE . 9.5 t -54.28 -39.55 44.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . 0.407 ' CD2' HD13 ' A' ' 145' ' ' LEU . 0.7 OUTLIER -69.91 -22.34 63.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 174' ' ' SER . 10.9 tmtt? -77.1 -52.5 9.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.409 1.068 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -58.83 -32.48 69.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.95 -52.1 12.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -70.9 -7.87 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.252 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 174' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 170' ' ' LYS . 35.4 t -73.06 -14.63 61.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.96 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -152.74 80.12 5.68 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 109.613 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 58.24 4.84 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.458 1.768 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 15.4 ttt85 176.88 -41.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.614 1.196 . . . . 0.0 110.259 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -93.27 137.4 23.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.348 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 179' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 159.98 40.67 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.525 1.803 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -136.89 139.3 41.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 181' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 184' ' ' LYS . 0.3 OUTLIER -79.37 140.11 37.56 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.512 1.133 . . . . 0.0 109.949 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -40.18 -38.83 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.399 1.062 . . . . 0.0 110.21 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.59 -49.79 61.44 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.58 1.175 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 184' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 181' ' ' SER . 5.2 mmtp -48.97 -41.03 32.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.354 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.33 -63.3 1.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 6.8 ptp -67.23 -9.85 44.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -79.24 -37.81 37.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 109.348 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.457 ' CG2' HG12 ' A' ' 168' ' ' VAL . 6.0 mt -85.0 -47.41 17.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 202' ' ' ASP . . . . . 0.501 ' CA ' ' OH ' ' A' ' 230' ' ' TYR . 0.8 OUTLIER -47.27 -28.84 2.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.221 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 90.7 t -80.11 -56.03 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 0.0 109.378 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 204' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 207' ' ' ARG . 3.9 tp60 -57.07 -50.05 73.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.216 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.562 HG13 ' CE2' ' A' ' 230' ' ' TYR . 14.5 mm -43.19 -52.07 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.302 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 7.6 t -53.61 -37.8 63.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.045 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 207' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 204' ' ' GLN . 2.4 mmp_? -77.43 -36.23 53.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.355 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 208' ' ' LEU . . . . . 0.466 HD23 ' CG ' ' A' ' 165' ' ' GLU . 25.4 mt -69.14 -27.56 65.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 209' ' ' ARG . . . . . 0.404 ' NE ' ' HG3' ' A' ' 219' ' ' PRO . 2.8 mtt180 -68.2 -53.44 24.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.076 . . . . 0.0 110.353 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.15 -18.58 65.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 3.3 mtp -80.2 -52.92 7.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 212' ' ' VAL . . . . . . . . . . . . . 34.1 m -71.45 -28.37 31.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -119.79 -147.16 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.163 . . . . 0.0 110.369 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.372 1.045 . . . . 0.0 110.279 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 219' ' ' PRO . . . . . 0.404 ' HG3' ' NE ' ' A' ' 209' ' ' ARG . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -137.13 -55.91 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.57 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 55.0 m-85 -89.66 21.56 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 222' ' ' ILE . . . . . 0.474 HD11 ' CE2' ' A' ' 232' ' ' PHE . 16.2 mm -140.21 110.61 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.41 1.069 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -119.92 101.2 7.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 98.9 m -79.76 121.27 25.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 110.492 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 225' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 229' ' ' GLY . 17.9 m -126.34 120.39 56.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -64.92 -43.97 91.05 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -48.26 -27.09 5.24 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.55 1.156 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.82 -81.7 0.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 0.79 . . . . 0.0 109.258 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 229' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 177.25 -77.94 0.07 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 230' ' ' TYR . . . . . 0.562 ' CE2' HG13 ' A' ' 205' ' ' ILE . 57.1 m-85 -156.3 124.57 5.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.744 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 2.7 p -119.52 153.29 22.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.565 1.166 . . . . 0.0 109.284 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 8.7 t80 -119.9 97.04 5.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 57.9 t -94.14 111.79 54.74 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 234' ' ' PRO . . . . . 0.467 ' HA ' ' CD2' ' A' ' 221' ' ' TYR . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 111.034 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.484 ' HB ' ' CB ' ' A' ' 146' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ILE . . . . . 0.573 HG22 ' CE1' ' A' ' 140' ' ' PHE . 5.3 mp -145.72 107.85 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ALA . . . . . 0.585 ' C ' ' CD1' ' A' ' 140' ' ' PHE . . . -125.05 165.81 17.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 109.366 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' PHE . . . . . 0.619 ' N ' ' CD1' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -144.59 79.53 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.986 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 60.08 -79.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.492 1.12 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 140' ' ' PHE . 0.4 OUTLIER -85.83 -42.81 13.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 0.744 . . . . 0.0 109.35 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -69.17 162.68 26.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' LYS . . . . . 0.57 ' HB3' ' CE2' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -162.23 102.86 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 138' ' ' ILE . 0.8 OUTLIER -119.7 156.85 29.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' ASN . . . . . 0.484 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 46.9 t-20 -156.54 119.7 4.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 170' ' ' LYS . 3.4 mt -79.5 -24.63 42.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -72.12 -30.13 65.71 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.391 1.057 . . . . 0.0 111.006 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 2.3 m -110.04 -11.31 14.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 110.443 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 52.72 50.67 17.6 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -144.92 116.91 8.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' MET . . . . . 0.401 ' O ' ' O ' ' A' ' 159' ' ' MET . 5.7 ttt -119.73 144.96 46.96 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.582 1.177 . . . . 0.0 110.943 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 144' ' ' LYS . 0.9 OUTLIER -159.45 155.46 26.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' ARG . . . . . 0.55 ' O ' ' CB ' ' A' ' 155' ' ' GLU . 0.0 OUTLIER -120.07 98.98 6.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.599 1.187 . . . . 0.0 110.271 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . 0.55 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 1.1 tt0 89.62 -24.24 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.539 1.149 . . . . 0.0 110.324 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 155' ' ' GLU . 0.6 OUTLIER 157.16 -32.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' GLU . . . . . 0.405 ' O ' ' CB ' ' A' ' 153' ' ' PHE . 1.6 mp0 -48.5 105.31 0.48 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.414 1.071 . . . . 0.0 110.323 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 118.36 5.25 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.525 1.803 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' MET . . . . . 0.401 ' O ' ' O ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -144.38 135.67 12.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.594 1.839 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.76 122.97 4.93 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 88.8 m -39.16 146.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.432 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 13.2 m -50.84 -59.03 4.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.408 1.067 . . . . 0.0 109.973 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -46.38 -46.21 16.68 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.415 1.072 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -56.51 -47.6 78.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 0.797 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 166' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -59.67 -59.86 4.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.17 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -52.17 -59.16 4.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 168' ' ' VAL . . . . . 0.444 HG12 ' CD1' ' A' ' 208' ' ' LEU . 20.5 t -48.4 -55.51 3.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 124.506 1.129 . . . . 0.0 109.243 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 3.6 tt -54.36 -61.02 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 170' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 174' ' ' SER . 0.5 OUTLIER -41.04 -39.97 1.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -60.57 -55.88 28.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.565 1.165 . . . . 0.0 109.251 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 172' ' ' LEU . . . . . 0.484 ' CD2' ' C ' ' A' ' 231' ' ' VAL . 0.4 OUTLIER -60.43 -41.26 93.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 173' ' ' VAL . . . . . 0.466 HG12 ' CD1' ' A' ' 138' ' ' ILE . 41.1 t -79.98 0.22 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 174' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 170' ' ' LYS . 3.2 m -102.4 -27.27 12.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.94 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -115.05 90.53 23.67 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.632 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 132.21 15.17 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.487 1.782 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 45.77 54.85 7.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.173 . . . . 0.0 110.242 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 178' ' ' GLU . . . . . 0.489 ' O ' ' CD1' ' A' ' 180' ' ' LEU . 6.7 tt0 -153.35 98.75 2.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 179' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 131.0 13.84 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.516 1.798 . . . . 0.0 111.07 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 180' ' ' LEU . . . . . 0.489 ' CD1' ' O ' ' A' ' 178' ' ' GLU . 1.2 mp -131.63 152.55 50.74 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 8.9 m -57.69 159.27 5.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.093 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -32.72 59.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 183' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 187' ' ' ASN . 0.1 OUTLIER -69.52 -60.1 2.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.223 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt -40.99 -36.45 0.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 185' ' ' LEU . . . . . 0.453 ' HB3' ' CD1' ' A' ' 201' ' ' ILE . 2.0 mp -58.91 -65.31 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 10.2 ptm -67.68 -15.06 63.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 111.051 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 187' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 183' ' ' ASP . 1.2 t30 -79.98 -61.81 1.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 56.7 tp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 201' ' ' ILE . . . . . 0.574 HG22 ' CE2' ' A' ' 230' ' ' TYR . 1.9 mm -47.97 -45.6 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.385 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -47.27 -57.6 5.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 203' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 207' ' ' ARG . 60.1 t -64.05 -54.91 25.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.386 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 204' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 208' ' ' LEU . 1.7 mp0 -46.46 -36.47 6.65 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.535 1.147 . . . . 0.0 110.346 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 205' ' ' ILE . . . . . 0.45 HG23 ' CD1' ' A' ' 230' ' ' TYR . 4.9 mm -62.34 -63.75 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.248 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 206' ' ' SER . . . . . 0.456 ' HA ' ' CG ' ' A' ' 209' ' ' ARG . 19.4 t -60.88 -28.02 68.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.984 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 207' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 203' ' ' VAL . 16.8 tpp180 -78.74 -27.01 44.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 110.258 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 208' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 204' ' ' GLN . 12.3 mt -80.03 -55.72 4.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 209' ' ' ARG . . . . . 0.456 ' CG ' ' HA ' ' A' ' 206' ' ' SER . 0.0 OUTLIER -55.26 -29.36 57.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.33 -45.98 65.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.79 -51.43 69.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.08 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 212' ' ' VAL . . . . . 0.55 ' HB ' ' CZ ' ' A' ' 140' ' ' PHE . 29.0 m -74.83 -34.04 32.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.376 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 213' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 209' ' ' ARG . 58.0 mm-40 -141.49 90.72 2.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.261 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.92 0 N-CA-C 111.049 -0.404 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -141.41 -45.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.239 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 221' ' ' TYR . . . . . 0.599 ' O ' ' CE1' ' A' ' 232' ' ' PHE . 24.3 m-85 -86.94 18.5 3.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.182 . . . . 0.0 111.003 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 222' ' ' ILE . . . . . 0.426 HD13 ' CA ' ' A' ' 209' ' ' ARG . 1.7 mt -152.17 117.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.572 1.17 . . . . 0.0 109.368 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -119.83 102.14 8.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 224' ' ' THR . . . . . 0.523 HG23 ' CE1' ' A' ' 230' ' ' TYR . 31.4 m -83.12 122.97 29.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 110.411 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 225' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 229' ' ' GLY . 0.0 OUTLIER -129.78 106.82 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.075 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -37.51 73.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 108.018 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -56.68 -23.87 45.71 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.23 -79.94 0.62 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 0.788 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 229' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 178.59 -86.01 0.07 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.426 1.079 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 230' ' ' TYR . . . . . 0.574 ' CE2' HG22 ' A' ' 201' ' ' ILE . 79.0 m-85 -160.07 124.02 3.68 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 0.755 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 231' ' ' VAL . . . . . 0.484 ' C ' ' CD2' ' A' ' 172' ' ' LEU . 9.9 p -119.52 170.55 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 232' ' ' PHE . . . . . 0.599 ' CE1' ' O ' ' A' ' 221' ' ' TYR . 14.1 t80 -131.37 104.12 6.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 83.1 t -115.27 90.09 23.27 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.122 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 2.1 m -57.54 173.89 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.459 ' CD1' HG13 ' A' ' 173' ' ' VAL . 5.3 mp -131.34 107.75 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.404 1.065 . . . . 0.0 109.318 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.44 149.67 41.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.498 ' N ' ' CD1' ' A' ' 140' ' ' PHE . 3.4 m-85 -120.7 -179.78 4.1 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -53.04 -28.02 31.92 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -134.71 -47.56 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 0.759 . . . . 0.0 109.354 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.539 ' CD1' ' HG3' ' A' ' 154' ' ' ARG . 10.9 m-85 -69.8 154.61 41.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 153' ' ' PHE . 17.5 mttt -142.69 131.72 23.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 138' ' ' ILE . 1.8 tt -142.56 151.85 41.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.437 ' OD1' ' N ' ' A' ' 148' ' ' GLY . 22.6 t-20 -160.04 119.85 2.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.582 ' CD2' ' CE1' ' A' ' 166' ' ' PHE . 63.7 mt -78.25 -43.85 27.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 146' ' ' ASN . . . -51.81 -30.13 28.13 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' THR . . . . . 0.426 ' CB ' ' ND2' ' A' ' 146' ' ' ASN . 36.1 m -115.16 -7.2 12.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 0.741 . . . . 0.0 110.421 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 146' ' ' ASN . 0.0 OUTLIER 47.08 53.02 11.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 0.0 110.328 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -139.34 114.84 9.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.417 1.073 . . . . 0.0 110.338 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.42 ' HB3' ' CD1' ' A' ' 161' ' ' LEU . 12.0 ttt -119.71 142.23 48.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.442 ' O ' ' N ' ' A' ' 144' ' ' LYS . 0.4 OUTLIER -157.59 157.39 33.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.42 1.075 . . . . 0.0 111.054 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.539 ' HG3' ' CD1' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -123.87 99.69 6.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.524 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 0.6 OUTLIER 88.93 -23.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 155' ' ' GLU . 1.8 t0 156.71 -31.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 153' ' ' PHE . 0.6 OUTLIER -49.55 106.0 0.58 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 122.79 7.41 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.519 1.799 . . . . 0.0 111.061 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.22 122.45 25.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 139.49 24.49 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.544 1.812 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.42 ' CD1' ' HB3' ' A' ' 152' ' ' MET . 10.7 mt -119.94 95.14 4.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 3.5 t -54.07 164.93 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.45 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 167' ' ' ALA . 3.9 m -50.12 -54.03 23.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.651 1.219 . . . . 0.0 109.977 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -51.61 -55.96 17.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.568 1.168 . . . . 0.0 110.955 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -58.35 -65.99 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 0.712 . . . . 0.0 110.232 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.582 ' CE1' ' CD2' ' A' ' 147' ' ' LEU . 0.2 OUTLIER -47.96 -51.43 23.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 163' ' ' SER . . . -55.68 -46.08 77.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 3.2 t -56.56 -62.85 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 172' ' ' LEU . 0.5 OUTLIER -54.18 -55.18 30.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . 0.461 ' CG ' HD11 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -41.14 -44.62 2.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -53.36 -49.0 68.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 169' ' ' LEU . 0.8 OUTLIER -65.48 -38.06 88.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . 0.459 HG13 ' CD1' ' A' ' 138' ' ' ILE . 22.4 t -76.91 -6.73 9.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 109.217 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 174' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 170' ' ' LYS . 0.3 OUTLIER -88.52 -25.56 22.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.995 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -138.85 91.47 11.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.649 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 127.72 10.88 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.556 1.819 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 73.81 31.34 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -122.39 99.93 42.33 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.181 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 179' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 120.0 5.92 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.49 1.784 . . . . 0.0 111.07 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.3 mt -127.52 148.51 50.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.26 163.62 6.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.042 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -27.38 68.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.02 -53.64 16.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.31 -25.93 64.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . 0.562 ' HG ' ' CD2' ' A' ' 230' ' ' TYR . 2.5 mm? -58.44 -69.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 4.4 ptm -64.79 -28.64 69.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.15 -59.82 4.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.243 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.7 tt -49.75 -51.73 36.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -61.1 -24.49 66.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 2.4 ttp85 -89.66 77.69 7.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.277 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -104.32 -91.1 2.2 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.472 1.107 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.67 -54.63 2.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.01 162.4 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 110.366 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 194' ' ' TYR . . . . . 0.496 ' O ' ' CG ' ' A' ' 194' ' ' TYR . 10.5 t80 -61.92 82.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 111.054 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 27.1 t -142.44 21.55 2.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.025 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -114.82 61.43 0.68 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.599 1.187 . . . . 0.0 109.312 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.58 -45.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -79.54 80.5 5.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 110.259 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -80.2 84.46 5.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' SER . . . . . 0.501 ' OG ' ' CG1' ' A' ' 203' ' ' VAL . 0.6 OUTLIER -150.15 129.1 12.56 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.571 1.169 . . . . 0.0 109.972 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.567 ' CG2' ' CE2' ' A' ' 230' ' ' TYR . 0.3 OUTLIER -135.47 -46.62 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.36 -40.67 96.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' VAL . . . . . 0.501 ' CG1' ' OG ' ' A' ' 200' ' ' SER . 6.3 p -80.33 -33.41 14.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.74 -52.58 16.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.562 HG13 ' CE1' ' A' ' 230' ' ' TYR . 5.7 mm -53.33 -57.41 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 4.0 p -43.37 -48.73 7.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.453 1.096 . . . . 0.0 110.06 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -66.46 -32.33 73.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.343 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 205' ' ' ILE . 13.6 mt -73.51 -36.06 65.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 209' ' ' ARG . . . . . . . . . . . . . 5.2 mtp-105 -68.44 -22.07 64.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.267 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -77.71 -58.68 3.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 211' ' ' MET . . . . . 0.427 ' HG3' ' N ' ' A' ' 212' ' ' VAL . 8.5 ptp -49.48 -40.8 38.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 212' ' ' VAL . . . . . 0.427 ' N ' ' HG3' ' A' ' 211' ' ' MET . 12.4 m -79.1 -36.09 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.596 1.185 . . . . 0.0 109.218 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -131.54 103.5 6.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.26 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -41.26 -33.3 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.254 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -104.62 105.44 50.36 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 54.43 3.69 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -145.08 -46.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -117.13 80.9 12.25 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.608 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -159.49 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.54 1.811 . . . . 0.0 111.03 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 220' ' ' ARG . . . . . 0.46 ' HD3' ' CE1' ' A' ' 221' ' ' TYR . 22.3 ttt85 -155.69 -51.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.576 1.173 . . . . 0.0 110.2 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.46 ' CE1' ' HD3' ' A' ' 220' ' ' ARG . 78.0 m-85 -101.73 19.37 18.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.083 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 222' ' ' ILE . . . . . . . . . . . . . 27.2 mm -143.65 112.93 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -119.89 89.5 3.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 10.3 m -73.21 123.12 23.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.439 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 225' ' ' VAL . . . . . 0.486 ' O ' ' N ' ' A' ' 229' ' ' GLY . 40.9 t -117.72 119.53 61.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.236 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 24.2 m95 -62.59 -47.71 82.6 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -56.67 -48.0 80.73 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.595 1.185 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -87.07 -81.58 0.23 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.556 0.797 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 229' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 169.83 -80.55 0.09 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.417 1.073 . . . . 0.0 110.94 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 230' ' ' TYR . . . . . 0.567 ' CE2' ' CG2' ' A' ' 201' ' ' ILE . 98.0 m-85 -152.08 118.73 5.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 0.809 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 4.8 p -119.84 151.7 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -120.11 98.37 6.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 53.1 t -109.51 103.06 51.94 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 234' ' ' PRO . . . . . 0.49 ' O ' ' CB ' ' A' ' 235' ' ' ASP . 18.1 Cg_endo -74.95 132.54 15.61 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.544 1.813 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 234' ' ' PRO . 2.3 t0 81.65 -54.35 0.26 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . 112.62 127.37 4.78 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.505 1.128 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 67.6 p -144.23 -62.75 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 0.789 . . . . 0.0 109.954 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -161.07 118.61 2.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.4 1.063 . . . . 0.0 109.352 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.496 ' HB ' ' CB ' ' A' ' 146' ' ' ASN . 0.8 OUTLIER 50.58 -179.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.457 ' CD1' HG13 ' A' ' 173' ' ' VAL . 4.4 mp -142.73 115.94 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -124.66 157.22 36.09 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.542 ' CD2' ' HB3' ' A' ' 143' ' ' PHE . 3.4 m-85 -122.74 -179.22 4.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -36.26 -64.96 0.54 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.573 1.171 . . . . 0.0 111.043 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.14 38.33 3.99 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.4 0.706 . . . . 0.0 109.248 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.542 ' HB3' ' CD2' ' A' ' 140' ' ' PHE . 1.8 t80 -139.63 166.26 25.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.96 120.25 3.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.47 HD11 ' CD2' ' A' ' 169' ' ' LEU . 0.7 OUTLIER -133.32 156.05 48.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.616 1.197 . . . . 0.0 109.302 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.496 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 49.3 t-20 -157.9 115.55 3.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.376 1.047 . . . . 0.0 109.312 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.471 HD13 ' CG ' ' A' ' 170' ' ' LYS . 10.0 mt -78.51 -38.19 41.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.435 1.084 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -61.68 -20.02 58.96 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.623 1.202 . . . . 0.0 111.043 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' THR . . . . . 0.405 ' HB ' ' ND2' ' A' ' 146' ' ' ASN . 18.0 m -114.03 -30.27 6.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.431 0.724 . . . . 0.0 110.404 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.45 ' HG3' ' CD2' ' A' ' 166' ' ' PHE . 19.5 ttm180 71.47 43.24 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -147.13 114.46 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.507 ' C ' ' CD1' ' A' ' 153' ' ' PHE . 5.0 ptm -129.21 152.64 48.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.572 1.17 . . . . 0.0 110.963 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.507 ' CD1' ' C ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -139.69 176.39 8.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.158 . . . . 0.0 110.966 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -160.06 120.01 2.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.228 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 47.71 56.3 7.31 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.442 1.088 . . . . 0.0 110.285 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.3 49.06 7.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.27 89.02 4.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 0.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.493 ' HB3' ' CD1' ' A' ' 153' ' ' PHE . 18.2 Cg_endo -75.03 150.43 38.01 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.32 136.44 8.11 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.637 1.211 . . . . 0.0 110.986 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 170.76 19.67 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.477 1.777 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.471 ' CD1' ' SD ' ' A' ' 152' ' ' MET . 25.8 mt -127.46 129.7 47.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.364 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 3.0 p -77.76 168.49 19.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.405 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 167' ' ' ALA . 1.4 p -55.6 -56.59 18.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.946 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -51.87 -53.29 30.58 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -62.78 -71.33 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.408 0.711 . . . . 0.0 110.319 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.45 ' CD2' ' HG3' ' A' ' 150' ' ' ARG . 30.5 t80 -41.13 -45.08 2.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 163' ' ' SER . . . -64.73 -58.59 5.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.123 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 2.6 t -49.69 -48.25 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.47 ' CD2' HD11 ' A' ' 145' ' ' LEU . 0.4 OUTLIER -64.71 -33.84 76.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . 0.471 ' CG ' HD13 ' A' ' 147' ' ' LEU . 5.5 mttm -60.75 -39.76 89.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -70.31 -44.27 68.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.575 1.172 . . . . 0.0 109.239 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.58 -44.67 89.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.127 . . . . 0.0 109.244 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . 0.457 HG13 ' CD1' ' A' ' 138' ' ' ILE . 80.1 t -73.85 -30.45 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 174' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 170' ' ' LYS . 2.1 m -55.41 -36.98 67.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.89 90.55 50.56 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.603 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 120.51 6.1 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.44 1.758 . . . . 0.0 110.959 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 72.67 50.13 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -159.44 131.21 4.09 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 179' ' ' PRO . . . . . 0.46 ' CB ' ' HG ' ' A' ' 228' ' ' LEU . 18.4 Cg_endo -75.06 164.25 33.62 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.563 1.823 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -162.31 112.44 1.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.85 142.65 8.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.088 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 5.0 ttm180 -41.64 -31.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.374 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.43 -50.33 10.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -57.76 -44.3 86.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 2.1 tt -57.65 -61.98 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 6.2 ttt -42.87 -45.5 4.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.363 1.039 . . . . 0.0 111.028 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -69.03 -53.63 19.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.52 -52.29 39.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.359 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -42.79 -51.42 5.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.94 98.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.332 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -114.04 -38.35 1.15 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.435 1.084 . . . . 0.0 111.06 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.63 -59.64 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 110.228 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 195' ' ' SER . 1.3 pt-20 -49.44 178.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.226 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 194' ' ' TYR . . . . . 0.443 ' CD2' ' O ' ' A' ' 194' ' ' TYR . 66.7 t80 -68.28 69.56 0.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 111.046 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 195' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 193' ' ' GLU . 37.9 t -137.31 55.63 1.8 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.45 1.094 . . . . 0.0 110.022 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -132.06 -47.22 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 15.2 tpp -84.95 46.6 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -88.88 -69.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.79 -62.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.91 165.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.561 1.163 . . . . 0.0 109.996 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.427 HG22 ' CE2' ' A' ' 230' ' ' TYR . 3.3 mt -76.14 -57.68 5.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' ASP . . . . . 0.439 ' N ' ' OH ' ' A' ' 230' ' ' TYR . 0.9 OUTLIER -40.0 -41.91 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 95.7 t -62.04 -53.06 52.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.356 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 204' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 208' ' ' LEU . 21.8 mm-40 -62.49 -43.57 98.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.361 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.463 HG13 ' CE1' ' A' ' 230' ' ' TYR . 21.6 mm -43.98 -47.04 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 6.3 t -62.1 -58.97 5.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.606 1.191 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 14.6 mtt-85 -54.12 -29.95 46.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 204' ' ' GLN . 3.6 mm? -77.87 -40.68 39.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 209' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 213' ' ' GLU . 2.7 ttm180 -58.37 -52.32 66.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.19 -25.62 67.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.245 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -56.25 10.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 111.035 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 212' ' ' VAL . . . . . . . . . . . . . 15.8 m -80.33 -27.72 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.196 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 209' ' ' ARG . 37.3 mm-40 -114.74 -147.73 0.42 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.502 1.126 . . . . 0.0 110.348 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . 0.401 ' O ' ' CB ' ' A' ' 215' ' ' ASP . 62.3 tt0 -172.35 -63.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 215' ' ' ASP . . . . . 0.512 ' N ' ' CD ' ' A' ' 216' ' ' PRO . 0.4 OUTLIER 163.45 -52.25 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 216' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 215' ' ' ASP . 18.4 Cg_endo -75.01 -2.86 13.09 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.464 1.77 . . . . 0.0 111.057 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 218' ' ' HIS . . . -112.47 -17.89 12.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 218' ' ' HIS . . . . . 0.404 ' O ' ' O ' ' A' ' 217' ' ' ALA . 0.3 OUTLIER 61.33 143.67 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.618 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 219' ' ' PRO . . . . . 0.447 ' O ' ' NH1' ' A' ' 220' ' ' ARG . 18.5 Cg_endo -74.96 -159.63 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.418 1.746 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 220' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 219' ' ' PRO . 0.1 OUTLIER 163.56 -45.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.599 ' O ' ' CE2' ' A' ' 232' ' ' PHE . 87.5 m-85 -90.73 20.37 4.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 222' ' ' ILE . . . . . . . . . . . . . 32.3 mm -147.99 110.72 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -124.7 119.88 30.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 97.1 m -109.68 114.55 28.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.588 1.18 . . . . 0.0 110.459 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 225' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 229' ' ' GLY . 24.0 t -111.15 134.98 51.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 9.2 m95 -75.32 -54.5 6.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 107.987 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -54.37 -27.67 41.16 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.496 1.122 . . . . 0.0 111.085 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . 0.46 ' HG ' ' CB ' ' A' ' 179' ' ' PRO . 1.3 mm? -105.63 -80.23 0.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.384 0.696 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 229' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 164.3 -86.08 0.1 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.47 1.106 . . . . 0.0 111.094 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 230' ' ' TYR . . . . . 0.463 ' CE1' HG13 ' A' ' 205' ' ' ILE . 48.4 m-85 -144.85 115.87 7.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 0.742 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . 0.42 ' CG1' HG22 ' A' ' 225' ' ' VAL . 0.2 OUTLIER -119.45 145.8 25.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 221' ' ' TYR . 10.0 t80 -121.44 98.21 5.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 233' ' ' VAL . . . . . 0.4 ' O ' ' O ' ' A' ' 220' ' ' ARG . 93.7 t -101.75 107.83 53.46 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 118.55 5.3 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.506 1.792 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 6.7 t70 46.09 92.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.172 . . . . 0.0 109.332 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -64.66 142.79 45.92 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.103 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 3.4 m -101.11 100.61 11.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 0.797 . . . . 0.0 109.959 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.99 132.96 11.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.098 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.641 1.213 . . . . 0.0 109.266 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.414 ' O ' HG22 ' A' ' 137' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.499 ' HB ' ' CB ' ' A' ' 146' ' ' ASN . 0.7 OUTLIER 49.46 -175.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.403 1.064 . . . . 0.0 109.344 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 145' ' ' LEU . 3.1 mp -145.91 118.02 2.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.572 1.17 . . . . 0.0 109.32 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -127.29 158.68 36.55 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.566 ' CD2' ' HB3' ' A' ' 143' ' ' PHE . 2.5 m-85 -121.3 -179.0 3.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.135 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -36.19 -64.83 0.55 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.558 1.162 . . . . 0.0 111.044 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -121.5 37.68 4.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 0.747 . . . . 0.0 109.262 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.566 ' HB3' ' CD2' ' A' ' 140' ' ' PHE . 2.4 t80 -137.29 170.9 15.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 110.967 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.475 ' HB3' ' CD2' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -158.72 132.3 7.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.349 179.877 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 138' ' ' ILE . 5.1 tt -146.71 157.41 43.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.169 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.499 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 50.3 t-20 -159.03 126.73 4.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.565 ' HB3' ' CE1' ' A' ' 166' ' ' PHE . 2.2 mp -78.16 -50.97 10.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -52.32 -33.77 39.76 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 4.0 m -101.57 -19.51 15.45 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.479 0.752 . . . . 0.0 110.426 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 146' ' ' ASN . 0.0 OUTLIER 52.53 50.95 17.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.231 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -149.25 116.63 6.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.273 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.554 ' C ' ' CD1' ' A' ' 153' ' ' PHE . 0.2 OUTLIER -123.7 152.83 41.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 111.008 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.554 ' CD1' ' C ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -135.66 174.73 10.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.975 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 1.5 tmt_? -159.96 120.82 3.07 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.554 1.159 . . . . 0.0 110.267 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 49.47 54.03 11.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 59.89 59.48 2.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.46 93.0 1.12 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.518 ' HB3' ' CD1' ' A' ' 153' ' ' PHE . 18.5 Cg_endo -74.93 153.47 42.17 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.42 1.747 . . . . 0.0 111.047 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.92 135.05 6.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 111.064 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 156.86 43.12 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.546 1.814 . . . . 0.0 110.949 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 65.7 mt -120.15 115.84 24.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 165' ' ' GLU . 2.0 p -46.56 142.1 3.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 10.5 m -43.54 -35.64 1.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.947 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -71.83 -38.86 60.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.599 1.187 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 162' ' ' THR . 0.0 OUTLIER -61.47 -71.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.44 0.73 . . . . 0.0 110.288 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.565 ' CE1' ' HB3' ' A' ' 147' ' ' LEU . 0.3 OUTLIER -41.8 -38.31 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.964 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -58.13 -63.03 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.465 HG13 ' CD2' ' A' ' 185' ' ' LEU . 9.4 t -55.2 -58.75 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 172' ' ' LEU . 1.9 tt -48.59 -53.19 19.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 166' ' ' PHE . 0.0 OUTLIER -45.67 -55.98 5.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -57.68 -31.67 66.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 169' ' ' LEU . 5.2 tp -71.65 -48.93 44.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.179 . . . . 0.0 109.261 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 4.3 p -80.04 -0.33 3.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 174' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 170' ' ' LYS . 44.6 t -87.39 -36.09 17.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 110.069 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -130.26 79.38 72.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.58 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . 0.469 ' O ' ' CB ' ' A' ' 177' ' ' ARG . 18.4 Cg_endo -74.93 146.08 32.54 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.469 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 9.2 ttt180 81.51 -51.52 0.27 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.396 1.06 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -82.31 114.12 48.98 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 0.0 110.348 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 179' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 152.01 39.95 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.456 1.767 . . . . 0.0 110.958 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 18.8 mt -142.78 117.21 9.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 181' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 184' ' ' LYS . 52.6 p -45.11 142.83 1.78 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.14 . . . . 0.0 109.954 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . 0.562 ' HB3' ' CE1' ' A' ' 230' ' ' TYR . 0.0 OUTLIER -44.66 -26.12 0.35 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . 0.411 ' N ' ' C ' ' A' ' 181' ' ' SER . 1.1 m-20 -64.33 -43.84 93.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.369 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 181' ' ' SER . 0.0 OUTLIER -67.04 -35.17 79.3 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 182' ' ' ARG . 0.7 OUTLIER -56.1 -67.01 0.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.102 . . . . 0.0 109.238 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 25.7 ptm -55.53 -33.57 63.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.433 1.083 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.69 -49.97 71.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.67 -49.14 22.45 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.31 1.006 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 191' ' ' GLY . . . -51.4 -60.03 3.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -63.9 76.92 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 189' ' ' ALA . . . -96.06 -59.81 1.04 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -154.96 50.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.417 0.716 . . . . 0.0 110.278 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -173.03 169.64 4.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.318 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 194' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -92.09 66.32 4.9 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 111.068 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 15.0 t -136.95 60.55 1.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 109.993 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -154.42 -64.16 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 32.0 ttm -86.39 48.35 1.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -75.52 -57.37 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.32 -69.19 0.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.12 134.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.051 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.454 ' CD1' ' CB ' ' A' ' 185' ' ' LEU . 2.6 mt -58.22 -57.03 12.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' ASP . . . . . 0.444 ' OD2' ' CZ2' ' A' ' 226' ' ' TRP . 0.2 OUTLIER -44.05 -44.47 7.45 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.452 1.095 . . . . 0.0 109.359 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 82.3 t -62.66 -59.47 4.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 204' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 207' ' ' ARG . 5.4 mt-30 -52.91 -56.3 16.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.593 1.183 . . . . 0.0 110.356 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.512 HG13 ' CE2' ' A' ' 230' ' ' TYR . 20.7 mm -40.31 -38.96 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 3.2 t -66.22 -50.12 64.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.578 1.174 . . . . 0.0 109.946 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 207' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 204' ' ' GLN . 0.1 OUTLIER -60.73 -30.07 69.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.346 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . 0.449 ' CD1' ' HG3' ' A' ' 165' ' ' GLU . 20.4 mt -79.99 -30.89 39.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 209' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.06 -55.82 12.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 21.2 ttt-85 -63.42 -35.03 79.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 0.0 110.35 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -60.43 3.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.59 1.181 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 212' ' ' VAL . . . . . 0.469 ' CG1' ' HE3' ' A' ' 152' ' ' MET . 35.5 m -71.83 -30.21 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -115.27 93.36 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 110.318 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.34 -32.87 2.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.428 1.08 . . . . 0.0 110.315 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.64 162.53 0.44 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -38.28 1.66 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.531 1.806 . . . . 0.0 111.062 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -161.84 56.98 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 218' ' ' HIS . . . . . 0.407 ' N ' ' HD3' ' A' ' 219' ' ' PRO . 5.5 t-160 -134.07 64.79 67.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.559 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 219' ' ' PRO . . . . . 0.407 ' HD3' ' N ' ' A' ' 218' ' ' HIS . 18.3 Cg_endo -75.06 -159.58 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.426 1.75 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.12 -47.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.338 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.56 ' CD2' ' HB3' ' A' ' 234' ' ' PRO . 20.8 m-85 -91.01 18.9 6.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 111.087 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 222' ' ' ILE . . . . . 0.576 HD12 ' CE2' ' A' ' 232' ' ' PHE . 19.6 mm -143.65 112.02 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 223' ' ' GLN . . . . . 0.434 ' CB ' HG11 ' A' ' 231' ' ' VAL . 5.3 mm-40 -119.99 103.42 9.29 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 224' ' ' THR . . . . . 0.484 HG22 ' CE2' ' A' ' 230' ' ' TYR . 17.9 m -105.31 115.59 30.52 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.562 1.164 . . . . 0.0 110.419 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 225' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 229' ' ' GLY . 0.7 OUTLIER -121.82 105.55 16.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 226' ' ' TRP . . . . . 0.444 ' CZ2' ' OD2' ' A' ' 202' ' ' ASP . 68.0 m95 -50.44 -42.44 54.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 107.991 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -51.39 -20.46 5.23 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.478 1.111 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 4.2 mt -128.94 -78.29 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 229' ' ' GLY . . . . . 0.496 ' C ' ' CD1' ' A' ' 230' ' ' TYR . . . 179.68 -110.81 0.29 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.117 . . . . 0.0 110.964 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 230' ' ' TYR . . . . . 0.562 ' CE1' ' HB3' ' A' ' 182' ' ' ARG . 9.6 m-85 -139.5 117.16 11.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.75 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . 0.434 HG11 ' CB ' ' A' ' 223' ' ' GLN . 7.0 p -119.11 155.17 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.576 ' CE2' HD12 ' A' ' 222' ' ' ILE . 2.7 t80 -118.57 95.7 4.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.383 1.052 . . . . 0.0 110.977 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 45.2 t -112.43 97.65 40.8 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 234' ' ' PRO . . . . . 0.56 ' HB3' ' CD2' ' A' ' 221' ' ' TYR . 18.5 Cg_endo -74.97 151.02 39.17 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.563 1.823 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 5.2 t0 61.78 175.26 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -81.06 -150.78 7.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.107 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 1.8 t 61.97 111.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.481 0.753 . . . . 0.0 110.022 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.98 167.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.276 -179.931 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.421 ' O ' ' O ' ' A' ' 137' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.436 HG23 ' N ' ' A' ' 138' ' ' ILE . 0.8 OUTLIER 54.55 168.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.436 ' N ' HG23 ' A' ' 137' ' ' VAL . 2.5 mp -136.92 113.45 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.01 154.1 33.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.473 ' N ' ' CD1' ' A' ' 140' ' ' PHE . 5.0 m-85 -120.16 -179.4 3.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -60.02 -13.91 29.11 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.455 1.097 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -143.18 -48.09 0.31 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 0.768 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -74.85 158.08 34.02 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.518 1.136 . . . . 0.0 111.043 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -145.12 113.21 6.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 3.6 tt -119.74 149.27 42.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.231 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -160.37 121.91 3.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.503 ' HB3' ' CZ ' ' A' ' 166' ' ' PHE . 6.7 mt -84.38 -42.02 16.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -58.25 -22.29 49.84 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 52.1 m -113.02 -12.81 13.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.771 . . . . 0.0 110.376 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 50.43 51.85 16.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.326 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 153' ' ' PHE . 1.5 mt-10 -146.88 115.83 6.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 0.0 110.361 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.402 ' O ' ' N ' ' A' ' 159' ' ' MET . 3.5 ttt -119.93 145.62 46.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.664 ' N ' ' CD1' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -156.63 156.85 34.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' A' ' 154' ' ' ARG . 12.1 ptt85 -130.4 104.3 7.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.247 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.509 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 0.6 OUTLIER 88.28 -31.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 155' ' ' GLU . 3.7 m-20 161.14 -28.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.2 113.36 7.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 139.47 24.46 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.522 1.801 . . . . 0.0 111.032 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' MET . . . . . 0.471 ' CE ' ' SD ' ' A' ' 211' ' ' MET . 1.5 ptm -158.13 111.26 1.73 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -177.45 3.47 Favored 'Trans proline' 0 C--N 1.362 1.252 0 O-C-N 124.459 1.768 . . . . 0.0 111.038 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 89.5 mt -137.11 111.17 8.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -48.66 158.44 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 29.2 m -45.98 -54.88 7.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.052 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.417 ' HA2' ' CB ' ' A' ' 195' ' ' SER . . . -54.65 -48.66 64.64 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.572 1.17 . . . . 0.0 110.995 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.432 ' CB ' HD11 ' A' ' 208' ' ' LEU . 5.5 mt-10 -61.95 -67.44 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 110.363 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 147' ' ' LEU . 2.9 t80 -42.63 -48.24 5.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -53.29 -63.41 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.416 HG13 ' CG2' ' A' ' 201' ' ' ILE . 5.3 t -45.87 -55.65 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.475 ' CD2' HD22 ' A' ' 147' ' ' LEU . 8.2 tt -52.41 -57.45 9.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . 0.498 ' O ' ' CB ' ' A' ' 174' ' ' SER . 0.0 OUTLIER -46.11 -35.5 5.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -66.85 -50.41 62.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.37 -41.35 96.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 56.0 t -77.33 -14.45 14.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 174' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 170' ' ' LYS . 1.1 m -77.74 -15.27 59.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.949 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.39 91.43 5.05 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.558 1.161 . . . . 0.0 109.528 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.89 148.88 36.44 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.564 1.823 . . . . 0.0 111.041 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 50.29 30.65 4.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.98 106.17 12.55 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 110.3 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 179' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 144.45 30.35 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.545 1.813 . . . . 0.0 110.985 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 3.1 mt -137.69 163.7 30.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.377 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 181' ' ' SER . . . . . 0.426 ' O ' ' N ' ' A' ' 184' ' ' LYS . 29.7 p -90.17 148.6 22.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 110.039 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . 0.455 ' HB3' ' CD1' ' A' ' 201' ' ' ILE . 1.2 mpp_? -50.93 -28.06 8.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 110.357 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 187' ' ' ASN . 4.1 t0 -71.01 -28.87 64.73 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.48 1.113 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 181' ' ' SER . 1.1 mmtt -76.83 -19.55 57.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . 0.406 ' N ' HD21 ' A' ' 185' ' ' LEU . 1.0 OUTLIER -71.65 -58.26 3.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 186' ' ' MET . . . . . 0.402 ' C ' ' SD ' ' A' ' 186' ' ' MET . 5.0 ppp? -71.37 -33.79 69.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 190' ' ' ARG . 12.2 t-20 -61.88 -63.49 1.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.367 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.13 -38.23 17.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.413 1.071 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . 0.422 ' O ' ' CB ' ' A' ' 196' ' ' ALA . . . -97.29 36.9 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 187' ' ' ASN . 46.0 ttt180 -106.92 90.8 3.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . 177.42 -148.29 8.7 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.578 1.174 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.08 65.47 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 0.789 . . . . 0.0 110.371 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 195' ' ' SER . 3.8 tt0 -171.18 102.54 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 194' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -66.57 70.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 195' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 193' ' ' GLU . 2.0 t -125.59 -43.41 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.948 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.422 ' CB ' ' O ' ' A' ' 189' ' ' ALA . . . -68.3 -51.95 39.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.087 . . . . 0.0 109.219 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 26.7 ttm -83.19 58.47 4.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.48 -59.84 1.85 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.475 1.109 . . . . 0.0 110.248 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 199' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 200' ' ' SER . 0.0 OUTLIER 165.69 81.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.214 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 199' ' ' ARG . 0.9 OUTLIER 53.0 173.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 0.0 109.952 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.457 ' O ' ' N ' ' A' ' 203' ' ' VAL . 0.9 OUTLIER -109.42 -64.78 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.355 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 201' ' ' ILE . 0.5 OUTLIER -36.41 -33.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.29 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 203' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 201' ' ' ILE . 54.1 t -60.62 -61.27 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 204' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 201' ' ' ILE . 2.0 mt-30 -61.35 -28.78 69.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 110.342 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.441 HD13 ' N ' ' A' ' 205' ' ' ILE . 0.6 OUTLIER -56.71 -63.58 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 206' ' ' SER . . . . . 0.41 ' N ' HG23 ' A' ' 205' ' ' ILE . 73.6 p -50.72 -31.87 17.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.044 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -71.06 -51.77 23.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.353 1.033 . . . . 0.0 110.246 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . 0.463 ' CB ' ' NH2' ' A' ' 209' ' ' ARG . 53.9 mt -67.86 -28.92 67.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 209' ' ' ARG . . . . . 0.463 ' NH2' ' CB ' ' A' ' 208' ' ' LEU . 6.8 mmp_? -80.3 -41.24 25.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -64.09 -18.7 64.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 211' ' ' MET . . . . . 0.471 ' SD ' ' CE ' ' A' ' 159' ' ' MET . 4.4 ttm -73.77 -62.16 1.59 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 212' ' ' VAL . . . . . 0.419 HG23 ' N ' ' A' ' 213' ' ' GLU . 30.2 m -76.74 -33.99 22.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.073 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.571 ' HE2' ' NE ' ' A' ' 220' ' ' ARG . 66.9 mm-40 -112.75 90.12 3.26 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.26 52.69 1.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.2 110.59 41.12 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.102 . . . . 0.0 109.371 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 56.32 4.22 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.524 1.802 . . . . 0.0 110.961 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -151.43 -48.46 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 169.51 150.58 0.13 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.579 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -159.55 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.554 1.818 . . . . 0.0 111.015 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 220' ' ' ARG . . . . . 0.571 ' NE ' ' HE2' ' A' ' 213' ' ' GLU . 7.7 ptp180 -133.67 -45.26 0.81 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 110.367 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.574 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 75.2 m-85 -87.44 18.32 3.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 111.065 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 222' ' ' ILE . . . . . . . . . . . . . 5.5 mm -151.87 117.47 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.107 . . . . 0.0 109.265 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 223' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 237' ' ' SER . 73.3 mm-40 -122.94 106.1 10.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.255 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 22.1 m -70.08 117.95 12.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.421 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 225' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 229' ' ' GLY . 62.4 t -116.88 116.95 53.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 46.3 m95 -55.45 -56.94 14.43 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 108.04 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -46.1 -39.48 9.28 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.511 1.132 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -101.92 -93.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 0.745 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 229' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 174.29 -75.44 0.08 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.148 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 230' ' ' TYR . . . . . 0.417 ' OH ' ' N ' ' A' ' 202' ' ' ASP . 70.7 m-85 -144.38 119.58 10.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.573 0.808 . . . . 0.0 110.973 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 2.4 p -119.08 144.21 28.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.574 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 2.6 t80 -119.96 97.97 5.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.956 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 76.6 t -118.64 141.12 29.35 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 128.18 11.24 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 42.7 88.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.419 1.074 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -164.5 173.17 40.42 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 110.922 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 237' ' ' SER . . . . . 0.42 ' HA ' ' NE2' ' A' ' 223' ' ' GLN . 0.4 OUTLIER -160.92 106.28 1.4 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.547 0.793 . . . . 0.0 110.004 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.79 107.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.472 ' HB ' ' CB ' ' A' ' 146' ' ' ASN . 1.3 m 54.73 174.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.57 1.169 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.437 ' N ' HG21 ' A' ' 137' ' ' VAL . 3.6 mp -126.6 107.05 16.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -123.83 148.46 46.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.403 1.065 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.711 ' CD2' ' CE2' ' A' ' 221' ' ' TYR . 10.4 p90 -152.76 80.75 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 140' ' ' PHE . . . 55.79 112.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.69 -60.37 0.47 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 0.75 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.7 ' CG ' ' CE2' ' A' ' 140' ' ' PHE . 75.4 m-85 -65.9 147.23 53.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.95 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -160.27 113.28 2.09 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.436 ' CD2' HD22 ' A' ' 147' ' ' LEU . 8.9 tt -119.12 149.44 41.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.472 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 48.3 t30 -151.47 113.39 4.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.453 HD11 ' CD ' ' A' ' 170' ' ' LYS . 12.2 mt -78.56 -36.68 44.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -55.49 -24.54 39.01 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.471 1.107 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 18.8 m -115.98 -12.03 11.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 0.771 . . . . 0.0 110.428 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 57.46 48.72 14.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -150.13 121.0 7.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.412 ' C ' ' SD ' ' A' ' 152' ' ' MET . 0.4 OUTLIER -126.23 151.85 46.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.449 ' HA ' ' O ' ' A' ' 157' ' ' GLU . 0.0 OUTLIER -148.65 174.8 11.77 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.553 1.158 . . . . 0.0 111.044 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.571 ' HG3' ' CE1' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -153.33 91.95 1.55 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 61.47 72.26 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 110.363 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 56.03 68.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.17 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . 0.449 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 44.1 tt0 -159.98 91.79 1.75 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 119.65 5.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.557 1.82 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' MET . . . . . 0.401 ' SD ' ' SD ' ' A' ' 152' ' ' MET . 3.2 ptp -149.98 122.36 4.22 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -175.79 2.54 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.483 1.78 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 5.5 mt -141.15 99.71 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.256 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 12.9 t -39.26 155.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.387 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.8 m -46.98 -43.56 19.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.041 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -56.81 -60.13 9.57 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.48 1.112 . . . . 0.0 111.047 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -57.3 -64.99 0.7 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.416 0.715 . . . . 0.0 110.257 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.522 ' CE1' ' HG3' ' A' ' 170' ' ' LYS . 6.0 t80 -42.52 -45.67 4.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -63.02 -47.0 84.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.405 HG12 ' CD2' ' A' ' 185' ' ' LEU . 95.9 t -63.26 -56.97 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.12 -27.84 62.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.112 . . . . 0.0 109.365 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . 0.522 ' HG3' ' CE1' ' A' ' 166' ' ' PHE . 0.0 OUTLIER -63.59 -53.39 52.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -54.53 -53.28 56.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.49 -45.81 73.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.615 1.197 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 25.1 t -70.37 -20.63 22.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 174' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 170' ' ' LYS . 1.0 OUTLIER -80.08 -20.35 45.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.622 1.201 . . . . 0.0 110.01 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . 0.552 ' CD2' ' HG3' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -138.88 85.7 16.13 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.555 1.16 . . . . 0.0 109.595 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 122.91 7.48 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.4 1.737 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 73.53 29.98 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.552 ' HG3' ' CD2' ' A' ' 175' ' ' HIS . 6.1 mm-40 -131.74 107.35 14.16 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 179' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 124.03 8.32 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.475 1.776 . . . . 0.0 111.036 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 2.5 mp -132.78 117.27 17.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 181' ' ' SER . . . . . 0.404 ' HA ' ' CA ' ' A' ' 229' ' ' GLY . 90.6 p -44.5 146.65 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.044 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . 0.568 ' HB3' ' CE1' ' A' ' 230' ' ' TYR . 0.0 OUTLIER -49.78 -25.22 2.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.78 -32.63 73.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.52 -36.97 60.42 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . 0.405 ' CD2' HG12 ' A' ' 168' ' ' VAL . 2.6 mp -55.04 -64.79 0.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -54.97 -35.78 64.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 110.991 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -52.47 -41.91 63.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 42.0 tp -73.14 -32.08 64.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -96.87 27.96 3.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.37 89.99 3.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -157.23 52.33 0.41 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 63.98 57.62 1.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 0.747 . . . . 0.0 110.358 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -154.41 138.28 16.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 194' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -84.35 79.16 9.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.416 1.072 . . . . 0.0 111.05 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.65 -47.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.946 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -57.31 -48.31 79.26 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -93.94 60.52 2.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 111.035 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.67 -57.02 3.02 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 9.8 ttm105 -174.29 46.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.078 . . . . 0.0 110.258 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.87 141.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 202' ' ' ASP . 27.0 mt -70.18 -54.59 18.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.386 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 201' ' ' ILE . 3.0 t0 -40.22 -59.29 1.3 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 43.1 t -51.03 -58.3 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.219 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 204' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 208' ' ' LEU . 0.0 OUTLIER -50.87 -60.22 3.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.277 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.492 HG13 ' CD2' ' A' ' 230' ' ' TYR . 8.2 mm -42.82 -51.7 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 3.6 m -54.45 -41.9 69.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 207' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 204' ' ' GLN . 20.5 mmt85 -76.07 -22.01 56.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.226 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 204' ' ' GLN . 1.2 mt -80.38 -54.84 5.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 209' ' ' ARG . . . . . 0.444 ' HB3' ' CG2' ' A' ' 222' ' ' ILE . 0.0 OUTLIER -61.63 -24.38 66.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 110.335 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -74.08 -43.06 59.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.339 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 10.5 mtp -60.72 -52.19 66.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.08 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 212' ' ' VAL . . . . . . . . . . . . . 20.3 m -70.96 -44.39 75.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.218 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -129.14 99.95 5.44 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -86.54 54.11 3.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -102.8 114.05 65.52 Favored Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 124.396 1.06 . . . . 0.0 109.259 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.92 56.01 4.08 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.538 1.809 . . . . 0.0 111.029 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -158.62 -59.35 0.07 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.587 1.18 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -174.86 138.78 0.62 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.583 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -159.67 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.54 1.811 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.35 -53.44 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.711 ' CE2' ' CD2' ' A' ' 140' ' ' PHE . 13.5 m-85 -88.85 22.03 2.84 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 222' ' ' ILE . . . . . 0.447 HD13 ' CE2' ' A' ' 232' ' ' PHE . 17.7 mm -141.28 114.27 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.23 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 5.7 mm-40 -119.59 105.45 11.22 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.558 1.161 . . . . 0.0 110.257 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 224' ' ' THR . . . . . 0.563 HG23 ' CE2' ' A' ' 230' ' ' TYR . 54.9 m -112.56 112.36 23.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.585 1.178 . . . . 0.0 110.368 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 225' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 229' ' ' GLY . 18.6 m -122.61 115.94 47.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -65.57 -22.15 66.67 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -71.21 -16.91 75.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.468 1.105 . . . . 0.0 111.056 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . 0.461 ' CB ' HG23 ' A' ' 225' ' ' VAL . 0.1 OUTLIER -131.88 -69.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 229' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 172.91 -112.24 0.42 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.52 1.137 . . . . 0.0 111.048 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 230' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 182' ' ' ARG . 24.6 m-85 -140.47 113.87 8.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 0.757 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 13.1 p -119.5 154.97 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 221' ' ' TYR . 4.2 t80 -120.11 97.81 5.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 93.4 t -110.26 99.74 41.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.225 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 234' ' ' PRO . . . . . 0.566 ' HB3' ' CD2' ' A' ' 221' ' ' TYR . 18.4 Cg_endo -75.01 147.6 34.11 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.438 1.757 . . . . 0.0 111.004 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 64.24 174.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.409 1.068 . . . . 0.0 109.322 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -108.25 -155.13 17.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.536 1.148 . . . . 0.0 110.968 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 1.4 m 63.77 99.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.966 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.52 177.18 5.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.363 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.46 ' O ' HG22 ' A' ' 137' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.511 ' HB ' ' CB ' ' A' ' 146' ' ' ASN . 0.7 OUTLIER 50.72 174.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.472 ' N ' HG23 ' A' ' 137' ' ' VAL . 4.4 mp -134.31 111.19 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.37 1.044 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -121.01 156.43 32.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.573 ' CD2' ' HB3' ' A' ' 143' ' ' PHE . 2.3 m-85 -122.08 -179.59 4.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -37.86 -67.32 0.5 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.558 1.162 . . . . 0.0 111.036 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.31 38.33 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 0.806 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.573 ' HB3' ' CD2' ' A' ' 140' ' ' PHE . 1.6 t80 -141.42 166.48 24.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.405 ' HB3' ' CD2' ' A' ' 153' ' ' PHE . 1.0 OUTLIER -157.47 124.78 5.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.539 ' CD2' ' CD1' ' A' ' 147' ' ' LEU . 0.4 OUTLIER -139.99 158.42 44.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.511 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 52.5 t-20 -158.08 117.47 3.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.245 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.539 ' CD1' ' CD2' ' A' ' 145' ' ' LEU . 7.1 mp -77.15 -46.63 22.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -52.93 -20.12 7.9 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.457 1.098 . . . . 0.0 110.979 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' THR . . . . . 0.404 ' O ' ' CB ' ' A' ' 150' ' ' ARG . 4.3 m -113.03 -36.14 5.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.746 . . . . 0.0 110.398 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.491 ' HG3' ' CD2' ' A' ' 166' ' ' PHE . 0.1 OUTLIER 77.88 40.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.294 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -144.19 114.09 7.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.574 1.172 . . . . 0.0 110.327 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.493 ' C ' ' CD1' ' A' ' 153' ' ' PHE . 0.1 OUTLIER -126.8 152.93 46.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.516 ' N ' ' CD1' ' A' ' 153' ' ' PHE . 0.1 OUTLIER -128.61 173.73 10.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.394 1.059 . . . . 0.0 111.04 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.567 ' HB3' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -159.76 121.14 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 110.264 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 54.01 41.1 32.16 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.571 1.169 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 4.5 t70 70.11 50.67 0.43 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.152 . . . . 0.0 109.317 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -154.43 104.11 2.38 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.07 . . . . 0.0 110.202 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 139.46 24.04 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.508 1.794 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' MET . . . . . 0.465 ' CG ' ' SD ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -140.23 145.16 40.38 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 111.028 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.15 174.09 13.39 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.782 . . . . 0.0 110.914 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 8.7 mt -134.72 111.06 9.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 7.2 m -62.34 143.13 57.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.396 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 10.5 m -40.08 -37.02 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.958 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -70.36 -56.26 7.91 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -54.1 -63.21 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.36 0.682 . . . . 0.0 110.238 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.491 ' CD2' ' HG3' ' A' ' 150' ' ' ARG . 5.8 t80 -46.54 -53.53 11.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -55.49 -60.92 2.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.455 ' CG2' HD12 ' A' ' 201' ' ' ILE . 37.9 t -50.8 -60.38 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.465 ' CD2' HD13 ' A' ' 145' ' ' LEU . 0.8 OUTLIER -49.89 -45.06 50.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 174' ' ' SER . 0.1 OUTLIER -52.85 -58.97 5.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 109.254 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -57.24 -23.92 51.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.402 ' CD1' HD23 ' A' ' 185' ' ' LEU . 6.4 tp -79.49 -49.53 12.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 5.5 p -80.04 0.15 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 174' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 170' ' ' LYS . 40.7 t -84.23 -28.25 27.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.095 . . . . 0.0 110.018 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . 0.405 ' ND1' HD11 ' A' ' 180' ' ' LEU . 0.2 OUTLIER -125.35 92.37 47.17 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.521 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 132.57 15.53 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.456 1.766 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 72.87 -58.32 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -57.28 109.45 1.75 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.155 . . . . 0.0 110.344 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 179' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 140.58 25.51 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.508 1.794 . . . . 0.0 111.0 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . 0.405 HD11 ' ND1' ' A' ' 175' ' ' HIS . 2.8 mp -124.56 154.31 40.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 181' ' ' SER . . . . . 0.463 ' O ' ' CD1' ' A' ' 185' ' ' LEU . 51.8 p -74.54 161.08 30.09 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.548 1.155 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -37.88 63.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.84 -49.46 38.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -49.2 -27.14 3.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.064 . . . . 0.0 109.237 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . 0.463 ' CD1' ' O ' ' A' ' 181' ' ' SER . 2.6 mp -70.56 -62.64 1.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.362 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 186' ' ' MET . . . . . 0.406 ' HG3' ' N ' ' A' ' 187' ' ' ASN . 1.7 ppp? -64.93 -18.37 65.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.59 1.182 . . . . 0.0 111.016 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . 0.406 ' N ' ' HG3' ' A' ' 186' ' ' MET . 2.5 t30 -79.86 -53.47 6.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.384 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 9.8 tt -51.51 -54.0 31.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -49.78 -58.98 4.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.81 89.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.26 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -117.92 129.28 8.18 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.41 1.069 . . . . 0.0 111.043 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -84.94 53.34 2.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 0.784 . . . . 0.0 110.357 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.86 53.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 194' ' ' TYR . . . . . . . . . . . . . 17.1 t80 37.57 61.67 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 30.7 t -142.47 75.46 1.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.032 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -173.4 -41.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 197' ' ' MET . . . . . 0.432 ' CE ' ' O ' ' A' ' 199' ' ' ARG . 0.0 OUTLIER -143.95 65.57 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 110.966 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -56.74 -42.73 79.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 199' ' ' ARG . . . . . 0.432 ' O ' ' CE ' ' A' ' 197' ' ' MET . 0.4 OUTLIER -131.51 -55.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.27 148.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 110.014 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.606 ' CG2' ' CE2' ' A' ' 230' ' ' TYR . 2.5 mm -61.65 -59.11 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.405 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -46.36 -31.15 2.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 69.7 t -79.7 -50.39 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.122 . . . . 0.0 109.401 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 204' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -59.32 -38.82 81.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.481 HG13 ' CD1' ' A' ' 230' ' ' TYR . 21.3 mm -63.12 -62.41 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.366 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 3.9 t -44.99 -53.25 7.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.043 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -58.19 -27.59 64.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 205' ' ' ILE . 15.8 mt -80.13 -54.56 5.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 209' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 213' ' ' GLU . 19.1 mtm105 -42.47 -47.65 5.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.358 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -34.5 73.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 211' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 208' ' ' LEU . 0.0 OUTLIER -69.05 -57.31 5.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 212' ' ' VAL . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 143' ' ' PHE . 34.9 m -72.1 -35.6 53.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 209' ' ' ARG . 14.4 mm-40 -128.1 92.75 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 11.5 pm0 -80.03 54.11 1.84 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.55 108.33 45.34 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 109.245 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 55.46 3.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.57 1.826 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -154.01 -58.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.252 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 218' ' ' HIS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 219' ' ' PRO . 5.1 t60 -177.22 136.75 0.4 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 109.641 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 219' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 218' ' ' HIS . 18.2 Cg_endo -75.02 -159.57 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.44 1.758 . . . . 0.0 110.989 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.7 -46.88 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.425 1.078 . . . . 0.0 110.348 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.41 ' CD2' ' HA ' ' A' ' 234' ' ' PRO . 34.5 m-85 -88.46 20.19 3.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 222' ' ' ILE . . . . . 0.531 HD11 ' CE2' ' A' ' 232' ' ' PHE . 16.8 mm -143.6 115.59 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -119.45 93.12 3.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 36.3 m -84.41 119.03 24.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.377 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 225' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 229' ' ' GLY . 30.1 m -129.47 125.57 61.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 6.4 m-90 -66.1 -46.42 77.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -44.81 -25.52 0.94 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.18 -80.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 0.801 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 229' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 176.55 -91.29 0.08 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.477 1.111 . . . . 0.0 111.046 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 230' ' ' TYR . . . . . 0.606 ' CE2' ' CG2' ' A' ' 201' ' ' ILE . 83.8 m-85 -149.91 121.84 8.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 111.003 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 4.8 p -119.36 155.31 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.531 ' CE2' HD11 ' A' ' 222' ' ' ILE . 1.5 t80 -119.71 98.56 6.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 54.0 t -109.11 101.06 43.45 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 234' ' ' PRO . . . . . 0.41 ' HA ' ' CD2' ' A' ' 221' ' ' TYR . 18.3 Cg_endo -75.07 -177.8 3.74 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.42 1.747 . . . . 0.0 111.06 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.42 88.87 7.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 0.0 109.235 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -155.65 -154.34 6.91 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.408 1.068 . . . . 0.0 110.987 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 23.9 p -153.24 -58.75 0.13 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.559 0.8 . . . . 0.0 110.032 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.51 -66.27 0.92 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.493 1.12 . . . . 0.0 109.388 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.945 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER 52.31 175.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.407 ' O ' ' N ' ' A' ' 145' ' ' LEU . 28.9 mm -147.85 116.76 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -120.82 160.91 22.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.488 ' N ' ' CD1' ' A' ' 140' ' ' PHE . 3.6 m-85 -126.75 -178.81 4.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.94 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.85 -9.44 46.21 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.481 1.113 . . . . 0.0 111.081 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.486 ' HG3' ' CD1' ' A' ' 143' ' ' PHE . 1.9 ptmt -144.09 -48.25 0.28 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 0.779 . . . . 0.0 109.239 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.592 ' CE2' ' O ' ' A' ' 212' ' ' VAL . 48.7 m-85 -75.9 172.17 13.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.534 ' HB3' ' CD2' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -158.86 111.18 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 138' ' ' ILE . 3.1 tt -119.57 148.83 42.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.616 1.197 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -160.89 114.99 2.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.357 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.466 HD12 ' CB ' ' A' ' 170' ' ' LYS . 10.1 mt -82.3 -35.62 27.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.294 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -62.37 -19.22 59.59 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 55.4 m -116.86 -10.7 10.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 110.357 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 54.47 49.88 17.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 110.366 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -148.66 120.36 8.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.555 ' C ' ' CD1' ' A' ' 153' ' ' PHE . 0.2 OUTLIER -130.29 148.04 52.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.391 1.057 . . . . 0.0 110.931 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -143.45 -179.74 6.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 111.016 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -157.63 101.41 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 55.56 70.23 0.65 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.25 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 54.25 65.56 1.48 Allowed 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 1.0 OUTLIER -159.47 92.79 1.81 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.33 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 129.86 12.84 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.456 1.766 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' MET . . . . . 0.426 ' HE2' ' CG ' ' A' ' 211' ' ' MET . 0.1 OUTLIER -157.52 138.09 9.16 Favored Pre-proline 0 C--N 1.323 -0.553 0 O-C-N 124.471 1.107 . . . . 0.0 111.078 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.03 -171.21 0.92 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.571 1.827 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 80.9 mt -148.49 102.09 3.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 165' ' ' GLU . 4.5 t -42.15 143.42 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 167' ' ' ALA . 9.0 m -39.84 -46.53 1.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.967 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -53.47 -47.04 64.06 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.563 1.165 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 162' ' ' THR . 41.3 mt-10 -73.86 -65.14 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.795 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.458 ' C ' ' CD1' ' A' ' 166' ' ' PHE . 4.0 t80 -43.94 -50.23 8.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 163' ' ' SER . . . -58.64 -60.2 4.2 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 171' ' ' ALA . 9.9 t -51.92 -61.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.443 1.09 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.469 ' C ' ' CD1' ' A' ' 169' ' ' LEU . 1.1 tm? -45.14 -43.71 10.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . 0.466 ' CB ' HD12 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -58.03 -39.37 78.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 168' ' ' VAL . . . -57.37 -54.49 46.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.01 -40.23 84.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.221 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 24.5 t -74.6 -13.64 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.343 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 174' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 170' ' ' LYS . 7.5 t -79.21 -33.24 43.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.939 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . 0.433 ' HB3' ' CB ' ' A' ' 178' ' ' GLU . 11.8 m80 -123.03 88.01 50.97 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.179 . . . . 0.0 109.584 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 118.58 5.33 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 0.0 111.059 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 74.0 22.29 2.42 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.433 ' CB ' ' HB3' ' A' ' 175' ' ' HIS . 1.9 mm-40 -126.67 119.91 22.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 110.243 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 179' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 150.49 37.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.524 1.802 . . . . 0.0 110.996 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . 0.486 ' O ' ' CD1' ' A' ' 185' ' ' LEU . 1.6 mp -158.03 136.16 10.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.432 1.083 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 12.0 p -67.65 145.29 54.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . 0.512 ' HB3' ' CE1' ' A' ' 230' ' ' TYR . 0.1 OUTLIER -48.18 -24.38 1.13 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -69.16 -50.26 49.36 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.504 1.127 . . . . 0.0 109.221 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -75.13 -31.66 61.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.365 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . 0.486 ' CD1' ' O ' ' A' ' 180' ' ' LEU . 0.0 OUTLIER -57.95 -58.76 6.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.615 1.197 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 186' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 187' ' ' ASN . 4.0 ptt? -66.49 -33.42 75.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . 0.413 ' N ' ' HG3' ' A' ' 186' ' ' MET . 1.7 t30 -66.21 -55.25 17.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 4.5 tp -52.31 -40.44 61.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.596 1.185 . . . . 0.0 109.282 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -55.02 -65.06 0.65 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 38.98 88.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.301 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -91.73 22.21 32.11 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 15.9 ttt-85 57.4 41.59 26.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.78 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -166.82 176.68 6.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 194' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -90.12 62.88 5.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 44.5 t -99.31 -48.59 4.75 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.449 1.093 . . . . 0.0 109.942 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -44.32 -42.82 7.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.51 43.41 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.382 1.051 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 31.4 tp10 -125.36 -51.59 1.63 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.499 1.125 . . . . 0.0 110.391 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -140.07 102.68 4.44 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.361 1.038 . . . . 0.0 110.199 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.14 151.6 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.074 . . . . 0.0 109.946 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.467 HD12 ' CD2' ' A' ' 185' ' ' LEU . 4.9 mm -54.2 -56.82 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.29 -35.4 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 87.7 t -80.13 -44.2 22.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 204' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 201' ' ' ILE . 30.7 mm-40 -62.24 -58.99 5.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.37 1.044 . . . . 0.0 110.3 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -52.34 -33.49 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 29.5 t -67.74 -41.22 83.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -75.92 -28.33 57.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.219 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 14.1 mt -74.49 -43.84 54.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.581 1.176 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 209' ' ' ARG . . . . . 0.468 ' CG ' HG23 ' A' ' 222' ' ' ILE . 4.0 mtp180 -56.95 -49.11 76.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.342 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -19.89 62.55 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.604 1.19 . . . . 0.0 110.301 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 211' ' ' MET . . . . . 0.426 ' CG ' ' HE2' ' A' ' 159' ' ' MET . 36.9 ttm -78.82 -48.98 13.73 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 212' ' ' VAL . . . . . 0.592 ' O ' ' CE2' ' A' ' 143' ' ' PHE . 25.2 m -80.71 -33.65 13.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.41 ' N ' HG21 ' A' ' 212' ' ' VAL . 17.1 mm-40 -136.59 -149.45 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.242 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . 0.408 ' C ' ' CG ' ' A' ' 215' ' ' ASP . 1.3 tt0 -120.14 -34.64 3.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 215' ' ' ASP . . . . . 0.439 ' N ' ' HD3' ' A' ' 216' ' ' PRO . 0.2 OUTLIER 47.51 63.35 10.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.28 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 216' ' ' PRO . . . . . 0.439 ' HD3' ' N ' ' A' ' 215' ' ' ASP . 18.0 Cg_endo -75.02 -0.03 9.48 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . 177.93 -36.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -155.82 120.89 2.49 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.607 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -159.55 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.56 1.821 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -137.23 -50.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.244 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.562 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 26.9 m-85 -90.02 20.02 4.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.586 1.179 . . . . 0.0 110.97 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 222' ' ' ILE . . . . . 0.468 HG23 ' CG ' ' A' ' 209' ' ' ARG . 31.4 mm -144.89 116.64 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 223' ' ' GLN . . . . . 0.422 ' CB ' HG11 ' A' ' 231' ' ' VAL . 0.1 OUTLIER -119.72 80.06 1.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.168 . . . . 0.0 110.23 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 98.7 m -74.58 123.88 25.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 225' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 229' ' ' GLY . 2.2 p -131.31 112.23 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 226' ' ' TRP . . . . . 0.453 ' O ' ' N ' ' A' ' 228' ' ' LEU . 0.8 OUTLIER -58.45 -56.33 23.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 108.012 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -37.51 -30.76 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.448 1.092 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 226' ' ' TRP . 1.0 OUTLIER -115.08 -85.65 0.61 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 0.756 . . . . 0.0 109.298 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 229' ' ' GLY . . . . . 0.594 ' C ' ' CD1' ' A' ' 230' ' ' TYR . . . -173.74 -94.19 0.09 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 230' ' ' TYR . . . . . 0.594 ' CD1' ' C ' ' A' ' 229' ' ' GLY . 35.6 m-85 -151.25 119.53 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . 0.422 HG11 ' CB ' ' A' ' 223' ' ' GLN . 2.9 p -119.33 157.66 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 1.5 t80 -122.11 100.36 6.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 53.1 t -112.63 96.24 35.96 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 178.09 7.72 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 1.9 t70 56.02 100.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -38.74 136.48 1.1 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.127 . . . . 0.0 110.973 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 21.4 t -159.73 -59.22 0.06 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.561 0.801 . . . . 0.0 109.931 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.18 158.33 16.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.607 1.192 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.567 1.167 . . . . 0.0 109.328 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.446 ' C ' ' CG1' ' A' ' 137' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.446 ' CG1' ' C ' ' A' ' 136' ' ' ALA . 1.4 m 59.89 178.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.438 ' N ' ' CG2' ' A' ' 137' ' ' VAL . 5.3 mp -134.62 110.47 13.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.408 1.068 . . . . 0.0 109.301 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -129.41 152.51 48.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.734 ' CE2' ' CG ' ' A' ' 143' ' ' PHE . 3.2 p90 -160.18 123.52 3.52 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.475 1.109 . . . . 0.0 110.952 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 64.11 -88.84 0.08 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -123.96 0.23 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.598 0.822 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.734 ' CG ' ' CE2' ' A' ' 140' ' ' PHE . 98.6 m-85 -94.97 138.51 32.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.57 ' HG3' ' CD2' ' A' ' 153' ' ' PHE . 0.3 OUTLIER -147.32 110.26 4.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.454 HD12 ' CD2' ' A' ' 169' ' ' LEU . 4.3 tt -119.79 148.06 43.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.416 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 46.5 t-20 -150.86 114.82 5.01 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.469 1.106 . . . . 0.0 109.226 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 166' ' ' PHE . 10.0 mt -75.61 -43.17 49.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.409 1.068 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -50.7 -26.12 10.17 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 98.4 m -117.16 -11.26 10.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 0.784 . . . . 0.0 110.343 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 16.5 ttp85 53.61 50.06 18.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -144.06 116.38 8.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.341 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.563 ' C ' ' CD1' ' A' ' 153' ' ' PHE . 12.8 ttt -132.36 149.71 52.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.387 1.055 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.57 ' CD2' ' HG3' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -147.23 179.46 7.62 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.567 ' HG3' ' CE1' ' A' ' 143' ' ' PHE . 0.1 OUTLIER -160.13 104.01 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.202 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 57.22 67.91 0.92 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.482 1.114 . . . . 0.0 110.254 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 5.3 t70 53.4 65.67 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -156.98 91.62 2.44 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.113 . . . . 0.0 110.247 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 124.93 8.98 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.557 1.819 . . . . 0.0 110.986 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' MET . . . . . 0.409 ' HG3' ' O ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -149.28 138.81 12.83 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.436 1.085 . . . . 0.0 110.953 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -163.29 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.403 1.738 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.409 HD22 ' CD1' ' A' ' 145' ' ' LEU . 1.7 mt -141.45 102.99 4.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 161' ' ' LEU . 9.7 m -38.42 152.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 110.387 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 9.0 m -50.72 -37.25 40.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 109.946 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -79.34 -49.2 6.37 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.523 1.139 . . . . 0.0 111.054 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.464 ' CB ' HD23 ' A' ' 208' ' ' LEU . 1.9 mt-10 -53.9 -62.29 1.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 110.276 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 147' ' ' LEU . 6.1 t80 -50.42 -54.52 21.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -57.37 -59.97 4.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 14.5 t -46.11 -47.46 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.359 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.469 ' CD1' HD13 ' A' ' 208' ' ' LEU . 14.8 tp -64.96 -48.76 72.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . 0.457 ' HG3' ' CD1' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -51.19 -36.81 43.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.609 1.193 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -64.95 -44.0 90.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.6 -48.85 45.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 11.5 t -65.56 -19.72 26.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.24 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.84 -35.17 79.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.052 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -128.81 92.31 40.5 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.614 1.196 . . . . 0.0 109.59 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . 0.466 ' O ' ' CB ' ' A' ' 177' ' ' ARG . 18.4 Cg_endo -74.97 111.19 3.27 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.533 1.807 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.466 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 6.2 ttp-105 81.53 30.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.35 114.93 12.6 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 179' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.86 134.93 18.69 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.404 1.739 . . . . 0.0 111.013 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . 0.46 ' CD2' HD23 ' A' ' 188' ' ' LEU . 1.2 mp -135.05 164.71 27.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 13.0 t -84.13 153.05 23.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.594 1.184 . . . . 0.0 110.008 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . 0.51 ' O ' ' CD1' ' A' ' 201' ' ' ILE . 1.3 mpp_? -52.18 -35.8 49.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.404 1.065 . . . . 0.0 110.288 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -72.97 -34.96 66.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 109.263 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -65.34 -41.98 93.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.359 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 3.5 mp -54.24 -63.11 1.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 186' ' ' MET . . . . . 0.468 ' CE ' ' HA ' ' A' ' 197' ' ' MET . 25.6 ttt -39.93 -44.24 1.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.995 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -73.86 -54.53 7.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.46 HD23 ' CD2' ' A' ' 180' ' ' LEU . 1.9 tp -42.1 -45.35 3.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -48.25 -59.14 3.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.12 100.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -79.56 79.88 1.61 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.496 1.122 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.44 -47.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 0.733 . . . . 0.0 110.251 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -144.65 144.4 31.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 194' ' ' TYR . . . . . 0.569 ' C ' ' CD1' ' A' ' 194' ' ' TYR . 0.1 OUTLIER 177.19 -63.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 45.7 t -172.42 33.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.594 1.184 . . . . 0.0 109.978 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.404 ' O ' ' CG ' ' A' ' 197' ' ' MET . . . 74.73 -80.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 197' ' ' MET . . . . . 0.468 ' HA ' ' CE ' ' A' ' 186' ' ' MET . 69.4 mtp -157.79 29.87 0.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.963 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 198' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 197' ' ' MET . 1.8 tp10 -37.56 -44.09 0.65 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 199' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 198' ' ' GLU . 15.3 ttt180 40.54 92.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.361 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' SER . . . . . 0.432 ' CB ' ' CG2' ' A' ' 203' ' ' VAL . 0.6 OUTLIER -155.82 74.84 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.401 1.063 . . . . 0.0 109.993 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.572 HG21 ' CD2' ' A' ' 230' ' ' TYR . 62.2 mt -93.4 -60.88 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.65 -45.32 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 203' ' ' VAL . . . . . 0.432 ' CG2' ' CB ' ' A' ' 200' ' ' SER . 10.2 m -67.65 -33.77 63.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 204' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 201' ' ' ILE . 0.1 OUTLIER -71.65 -47.38 54.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 110.243 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.56 HG13 ' CD1' ' A' ' 230' ' ' TYR . 22.7 mm -39.96 -31.94 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.374 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 206' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 204' ' ' GLN . 0.2 OUTLIER -79.94 -55.11 5.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.087 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 207' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 211' ' ' MET . 35.9 mmt180 -58.21 -30.25 66.34 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.098 . . . . 0.0 110.265 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . 0.469 HD13 ' CD1' ' A' ' 169' ' ' LEU . 3.8 mm? -79.94 -50.08 10.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 209' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 213' ' ' GLU . 20.1 ttm180 -51.76 -53.36 40.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.444 1.09 . . . . 0.0 110.235 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -65.17 -35.02 79.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 211' ' ' MET . . . . . 0.422 ' CG ' ' O ' ' A' ' 207' ' ' ARG . 26.1 mtp -63.62 -50.86 67.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 111.066 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 212' ' ' VAL . . . . . 0.6 ' O ' ' CE1' ' A' ' 143' ' ' PHE . 21.6 m -79.5 -24.6 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.229 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 209' ' ' ARG . 2.1 mm-40 -111.27 -147.43 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.06 -45.82 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.617 1.198 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.3 110.36 54.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 55.7 3.98 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.425 1.75 . . . . 0.0 111.056 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -149.69 -46.52 0.13 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.04 92.44 26.22 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.653 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -159.71 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.483 1.78 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.79 -55.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.596 1.185 . . . . 0.0 110.325 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.564 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 79.2 m-85 -95.15 21.43 7.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 222' ' ' ILE . . . . . . . . . . . . . 17.9 mt -152.94 117.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.618 1.199 . . . . 0.0 109.185 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -125.33 108.98 12.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 224' ' ' THR . . . . . 0.439 ' C ' ' CG2' ' A' ' 225' ' ' VAL . 1.0 OUTLIER -76.93 153.28 34.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.621 1.201 . . . . 0.0 110.39 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 225' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 229' ' ' GLY . 2.2 t -150.85 116.07 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.437 1.086 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -65.72 -45.92 80.86 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -54.26 -39.06 63.33 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.415 1.072 . . . . 0.0 111.024 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 4.8 mt -102.52 -82.86 0.48 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.417 0.716 . . . . 0.0 109.353 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 229' ' ' GLY . . . . . 0.593 ' O ' ' CD1' ' A' ' 230' ' ' TYR . . . 175.4 -75.0 0.08 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 230' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 229' ' ' GLY . 60.8 m-85 -160.1 122.03 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 110.952 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 9.6 p -119.72 152.7 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.564 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 4.9 t80 -119.86 97.53 5.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.583 1.177 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 41.1 t -106.52 104.07 49.05 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.25 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 176.55 9.78 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.54 1.811 . . . . 0.0 110.998 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -41.83 144.62 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -159.35 164.05 33.74 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.451 1.094 . . . . 0.0 111.088 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.17 143.61 3.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 0.78 . . . . 0.0 109.969 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -91.76 139.24 30.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 1.4 m 56.33 166.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . . . . . . . . . 16.2 mm -132.07 108.24 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.8 161.94 19.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.487 ' N ' ' CD1' ' A' ' 140' ' ' PHE . 4.4 m-85 -126.27 -179.47 4.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 111.065 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -59.29 -15.02 29.06 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.566 1.166 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -138.63 -49.88 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -74.07 161.14 30.34 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.537 1.148 . . . . 0.0 111.073 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.33 110.18 4.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.476 ' CD1' ' HG3' ' A' ' 152' ' ' MET . 7.5 tt -119.61 157.34 28.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.448 ' ND2' ' OG1' ' A' ' 149' ' ' THR . 57.2 t-20 -160.47 117.86 2.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 0.0 109.335 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.57 ' HB3' ' CE2' ' A' ' 166' ' ' PHE . 22.8 mt -76.79 -45.57 28.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -56.84 -21.73 38.17 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' THR . . . . . 0.448 ' OG1' ' ND2' ' A' ' 146' ' ' ASN . 96.8 m -113.56 -9.31 13.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.766 . . . . 0.0 110.382 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.52 53.55 9.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.462 ' HB3' ' CE1' ' A' ' 153' ' ' PHE . 3.8 mt-10 -152.76 121.04 6.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.419 1.074 . . . . 0.0 110.296 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.476 ' HG3' ' CD1' ' A' ' 145' ' ' LEU . 1.1 tmt? -125.95 144.9 50.51 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.462 ' CE1' ' HB3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -148.99 150.59 33.09 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.422 1.077 . . . . 0.0 110.932 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 155' ' ' GLU . 0.8 OUTLIER -119.84 100.21 7.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 110.28 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.526 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 0.3 OUTLIER 87.74 -30.95 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 155' ' ' GLU . 0.2 OUTLIER 161.86 -28.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.351 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' A' ' 153' ' ' PHE . 1.1 tp10 -61.1 126.25 85.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.257 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 131.61 14.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 152' ' ' MET . 8.1 mmm -130.93 107.24 15.2 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 111.053 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 157.65 42.44 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.436 1.756 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.45 103.68 4.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 81.6 m -50.75 164.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 68.6 m -49.12 -53.74 19.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.927 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -50.49 -57.76 10.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.526 1.141 . . . . 0.0 111.059 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.11 -50.1 70.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.506 0.768 . . . . 0.0 110.255 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 147' ' ' LEU . 1.3 t80 -60.01 -40.8 90.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -65.63 -41.66 92.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.461 ' CG1' ' CD1' ' A' ' 205' ' ' ILE . 72.3 t -63.78 -57.3 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.461 ' CD2' HD11 ' A' ' 145' ' ' LEU . 0.6 OUTLIER -60.88 -20.25 61.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . 0.56 ' HG3' ' CE1' ' A' ' 166' ' ' PHE . 0.0 OUTLIER -70.81 -59.34 2.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -47.68 -48.98 28.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 1.4 mt -59.32 -46.81 87.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.238 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 26.6 t -70.88 -10.94 14.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.228 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 174' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 170' ' ' LYS . 0.1 OUTLIER -91.11 0.03 57.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.962 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . 0.5 ' CD2' ' CB ' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -154.66 89.4 3.21 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.6 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 126.69 10.18 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 2.4 ttm105 58.17 46.94 15.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.5 ' CB ' ' CD2' ' A' ' 175' ' ' HIS . 0.9 OUTLIER -147.15 117.07 4.45 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 179' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 146.11 32.39 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.484 1.781 . . . . 0.0 111.087 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.79 119.45 8.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.26 158.81 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.032 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.69 -20.35 55.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.64 -46.9 18.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.4 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -65.08 -52.22 56.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.598 1.186 . . . . 0.0 109.305 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.78 -51.21 13.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 2.7 tpt -57.02 -59.48 5.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -43.26 -46.7 6.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 1.072 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.57 -60.92 2.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 191' ' ' GLY . . . -52.05 -55.17 22.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.13 76.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.26 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 189' ' ' ALA . . . -126.4 -64.35 0.16 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.542 1.152 . . . . 0.0 111.033 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.99 53.92 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.787 . . . . 0.0 110.272 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -168.45 151.08 5.28 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.52 1.137 . . . . 0.0 110.358 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 194' ' ' TYR . . . . . 0.436 ' O ' ' CG ' ' A' ' 194' ' ' TYR . 17.7 t80 -72.29 79.37 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 34.4 t -141.87 50.93 1.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -123.93 -55.48 1.69 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 109.229 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.67 -40.22 1.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.99 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.72 -62.8 1.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.257 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 44.39 92.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 202' ' ' ASP . 2.3 t -170.74 -58.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 110.054 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.566 HG22 ' CE2' ' A' ' 230' ' ' TYR . 50.2 mt 65.92 -74.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 200' ' ' SER . 0.0 OUTLIER -40.28 -31.32 0.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.399 1.062 . . . . 0.0 109.285 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 203' ' ' VAL . . . . . 0.417 ' N ' ' C ' ' A' ' 201' ' ' ILE . 3.4 t -73.22 -55.35 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.589 1.181 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 204' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 201' ' ' ILE . 11.9 mm-40 -63.23 -48.11 79.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.252 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.461 ' CD1' ' CG1' ' A' ' 168' ' ' VAL . 28.7 mm -46.7 -42.23 5.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.569 1.168 . . . . 0.0 109.368 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 42.4 m -61.96 -41.68 98.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.095 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -73.37 -33.93 65.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.44 1.088 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 52.0 mt -68.85 -28.23 66.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 209' ' ' ARG . . . . . 0.469 ' CG ' HG23 ' A' ' 222' ' ' ILE . 0.1 OUTLIER -70.13 -57.89 4.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.338 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.15 -15.31 32.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.266 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -79.17 -60.38 2.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 212' ' ' VAL . . . . . . . . . . . . . 31.5 m -76.84 -30.56 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.411 ' O ' ' N ' ' A' ' 215' ' ' ASP . 7.4 mm-40 -141.65 101.38 3.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.155 . . . . 0.0 110.272 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.09 60.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.346 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 215' ' ' ASP . . . . . 0.464 ' N ' ' HD3' ' A' ' 216' ' ' PRO . 1.4 m-20 44.7 61.9 10.91 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.379 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 216' ' ' PRO . . . . . 0.464 ' HD3' ' N ' ' A' ' 215' ' ' ASP . 18.4 Cg_endo -75.01 53.7 3.42 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.554 1.818 . . . . 0.0 111.031 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . 58.14 63.66 1.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 79.67 111.71 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.647 1.217 . . . . 0.0 109.634 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -158.45 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 111.074 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 220' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 233' ' ' VAL . 0.1 OUTLIER -162.05 -40.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 110.336 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.415 ' CD2' ' HA ' ' A' ' 234' ' ' PRO . 70.1 m-85 -77.98 9.36 3.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 222' ' ' ILE . . . . . 0.503 HD13 ' CE2' ' A' ' 232' ' ' PHE . 6.5 mm -140.21 108.19 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.39 1.056 . . . . 0.0 109.225 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 223' ' ' GLN . . . . . 0.437 ' CB ' HG13 ' A' ' 231' ' ' VAL . 1.5 mt-30 -120.98 85.26 2.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 224' ' ' THR . . . . . 0.448 HG22 ' CZ3' ' A' ' 226' ' ' TRP . 51.9 m -80.33 116.09 20.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.426 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 225' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 229' ' ' GLY . 3.8 t -108.43 117.27 53.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 226' ' ' TRP . . . . . 0.448 ' CZ3' HG22 ' A' ' 224' ' ' THR . 1.2 m-90 -64.02 -50.72 67.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 108.039 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -55.7 -49.94 63.22 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.431 1.082 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -82.19 -79.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 109.37 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 229' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 176.52 -95.03 0.1 OUTLIER Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.44 1.087 . . . . 0.0 110.978 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 230' ' ' TYR . . . . . 0.566 ' CE2' HG22 ' A' ' 201' ' ' ILE . 91.5 m-85 -150.48 116.21 5.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 0.731 . . . . 0.0 111.004 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . 0.437 HG13 ' CB ' ' A' ' 223' ' ' GLN . 7.6 p -120.01 146.6 24.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.503 ' CE2' HD13 ' A' ' 222' ' ' ILE . 4.7 t80 -119.96 93.83 4.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 233' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 220' ' ' ARG . 97.4 t -101.3 108.16 53.81 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 109.375 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 234' ' ' PRO . . . . . 0.415 ' HA ' ' CD2' ' A' ' 221' ' ' TYR . 18.2 Cg_endo -75.04 132.82 15.79 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 70.98 158.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -102.23 167.13 17.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 2.0 t -173.04 74.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.27 71.91 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.584 1.178 . . . . 0.0 109.369 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.34 -179.933 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 137' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.485 ' HB ' ' CB ' ' A' ' 146' ' ' ASN . 1.0 OUTLIER 55.22 168.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 109.362 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.452 ' N ' HG21 ' A' ' 137' ' ' VAL . 4.4 mm -135.91 113.19 14.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.4 163.78 16.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.677 ' N ' ' CD1' ' A' ' 140' ' ' PHE . 0.0 OUTLIER -142.67 -177.8 5.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 111.005 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -34.89 -88.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -103.3 38.82 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.416 0.715 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.535 ' HB3' ' CD1' ' A' ' 140' ' ' PHE . 4.0 t80 -147.11 149.7 33.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -140.8 145.73 36.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.49 ' CD1' ' HE1' ' A' ' 152' ' ' MET . 0.2 OUTLIER -156.68 145.07 19.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.485 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 59.7 t-20 -150.38 118.98 6.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 166' ' ' PHE . 1.0 OUTLIER -79.24 -46.6 17.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -56.28 -19.03 23.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.543 1.152 . . . . 0.0 111.076 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 24.7 m -113.15 -13.84 12.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 110.446 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 53.88 50.31 17.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -144.25 119.21 9.98 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.529 1.143 . . . . 0.0 110.348 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.49 ' HE1' ' CD1' ' A' ' 145' ' ' LEU . 4.7 ttm -118.6 150.98 38.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.697 ' N ' ' CD1' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -151.56 154.77 37.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 111.051 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.59 122.31 7.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 110.305 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.424 ' C ' ' N ' ' A' ' 157' ' ' GLU . 2.0 mt-10 72.98 62.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 42.51 28.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.594 1.183 . . . . 0.0 109.339 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 155' ' ' GLU . 19.2 mt-10 -132.98 143.49 48.82 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 159.04 41.91 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.595 1.839 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 152' ' ' MET . 0.1 OUTLIER -160.0 119.17 1.62 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 111.073 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 179.21 6.3 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.541 1.811 . . . . 0.0 111.04 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -160.07 120.76 3.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 62.4 m -57.91 167.45 1.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 110.387 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 72.8 m -68.8 -38.78 80.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.587 1.18 . . . . 0.0 109.928 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -54.04 -39.76 64.2 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.115 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 167' ' ' ALA . 0.6 OUTLIER -71.75 -65.94 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 0.785 . . . . 0.0 110.226 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 147' ' ' LEU . 5.7 t80 -40.74 -27.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . 0.446 ' HB3' ' CG ' ' A' ' 194' ' ' TYR . . . -66.16 -63.55 1.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 171' ' ' ALA . 19.6 t -70.58 -47.59 63.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.504 ' CD2' ' O ' ' A' ' 169' ' ' LEU . 0.1 OUTLIER -47.93 -36.73 12.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 174' ' ' SER . 72.3 tttt -79.61 -30.0 41.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.155 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 168' ' ' VAL . . . -72.32 -33.64 67.5 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.544 1.152 . . . . 0.0 109.37 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.458 HD12 ' CD1' ' A' ' 205' ' ' ILE . 0.2 OUTLIER -77.2 -48.02 18.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.78 -10.42 13.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 174' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 170' ' ' LYS . 0.5 OUTLIER -65.98 -33.35 75.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.551 1.157 . . . . 0.0 109.986 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -135.05 94.26 16.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.413 1.071 . . . . 0.0 109.637 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 136.71 20.87 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.488 1.783 . . . . 0.0 110.994 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.24 23.67 9.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.343 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -132.42 108.87 13.48 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 179' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 139.37 24.11 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.498 1.789 . . . . 0.0 111.016 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 33.0 mt -131.54 145.96 51.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 181' ' ' SER . . . . . 0.418 ' O ' ' CD1' ' A' ' 185' ' ' LEU . 15.2 p -70.01 149.65 47.47 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 1.11 . . . . 0.0 109.939 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.32 -38.86 1.95 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.94 -53.61 12.56 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -44.8 -42.97 8.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . 0.465 ' CB ' HD11 ' A' ' 201' ' ' ILE . 5.0 mp -54.7 -63.77 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.411 1.069 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 16.6 tpt -56.27 -43.35 78.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -59.67 -55.12 38.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.226 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.96 -53.75 54.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -48.66 -48.54 39.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.5 124.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.316 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . 0.553 ' HA2' ' CE2' ' A' ' 194' ' ' TYR . . . -77.97 -173.65 41.42 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.561 1.163 . . . . 0.0 111.025 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 192' ' ' ARG . . . . . 0.472 ' CB ' ' O ' ' A' ' 191' ' ' GLY . 0.2 OUTLIER 83.26 -50.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 0.812 . . . . 0.0 110.299 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -65.19 -32.72 74.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 194' ' ' TYR . . . . . 0.561 ' CD1' ' HB3' ' A' ' 195' ' ' SER . 4.6 p90 -118.02 -34.99 3.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 111.092 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 195' ' ' SER . . . . . 0.561 ' HB3' ' CD1' ' A' ' 194' ' ' TYR . 3.4 t 164.31 103.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.613 1.196 . . . . 0.0 109.969 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.404 ' HB2' ' N ' ' A' ' 192' ' ' ARG . . . -82.0 73.68 9.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.81 -43.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.063 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -39.75 -70.57 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.55 1.156 . . . . 0.0 110.315 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.89 94.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.659 1.224 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.23 115.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 109.986 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.65 ' CG2' ' CE2' ' A' ' 230' ' ' TYR . 3.2 mm -95.49 -80.73 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.46 -30.34 0.07 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.394 1.059 . . . . 0.0 109.35 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 203' ' ' VAL . . . . . 0.446 ' N ' ' C ' ' A' ' 201' ' ' ILE . 40.9 t -71.04 -60.2 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.248 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 204' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 207' ' ' ARG . 47.7 mm-40 -64.24 -44.99 90.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.347 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.468 ' O ' ' CB ' ' A' ' 209' ' ' ARG . 6.9 mm -42.41 -48.89 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.221 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.84 -38.11 89.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 109.947 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 207' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 204' ' ' GLN . 10.3 mtt180 -68.23 -52.64 31.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.597 1.185 . . . . 0.0 110.353 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . 0.462 ' CD1' HD12 ' A' ' 222' ' ' ILE . 0.4 OUTLIER -67.83 -31.5 71.39 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.564 1.165 . . . . 0.0 109.312 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 209' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 205' ' ' ILE . 38.9 ttm180 -62.84 -61.37 2.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.42 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 23.6 ttt-85 -55.35 -24.93 32.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 1.8 ttp -63.62 -56.89 12.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 212' ' ' VAL . . . . . 0.449 ' CG1' ' HE3' ' A' ' 152' ' ' MET . 21.3 m -79.55 -25.89 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.403 ' O ' ' CG ' ' A' ' 214' ' ' GLU . 31.5 mm-40 -109.79 -147.32 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 110.252 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . 0.403 ' CG ' ' O ' ' A' ' 213' ' ' GLU . 60.3 mt-10 -158.52 -50.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -97.1 110.32 53.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 55.84 4.02 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -150.39 -46.73 0.12 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -121.49 77.34 35.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.636 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -159.71 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.53 1.805 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -156.2 -51.66 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 110.343 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.458 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 22.5 m-85 -96.86 21.39 9.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 222' ' ' ILE . . . . . 0.462 HD12 ' CD1' ' A' ' 208' ' ' LEU . 7.8 mt -154.79 116.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.416 1.072 . . . . 0.0 109.38 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -122.93 95.96 4.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 1.6 m -73.85 143.4 45.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.456 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 225' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 229' ' ' GLY . 0.2 OUTLIER -149.92 110.41 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 28.8 m95 -55.06 -40.98 70.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 108.003 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -55.38 -21.79 28.17 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.635 1.21 . . . . 0.0 111.046 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 23.0 mt -123.95 -81.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.779 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 229' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 172.65 -82.89 0.08 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 230' ' ' TYR . . . . . 0.65 ' CE2' ' CG2' ' A' ' 201' ' ' ILE . 87.3 m-85 -155.64 123.27 5.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 0.768 . . . . 0.0 111.079 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 1.3 p -119.39 163.39 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.458 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 5.3 t80 -136.43 107.89 6.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 111.023 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 98.2 t -111.97 96.95 36.3 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.07 170.63 19.97 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.45 1.763 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -53.57 98.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . 132.49 179.18 16.02 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 26.0 t -171.84 163.77 6.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 0.783 . . . . 0.0 109.963 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -75.18 119.61 19.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.903 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.43 HG21 ' N ' ' A' ' 138' ' ' ILE . 1.4 m 57.46 170.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.214 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.43 ' N ' HG21 ' A' ' 137' ' ' VAL . 2.5 mp -134.99 113.32 15.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.445 1.091 . . . . 0.0 109.217 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.76 159.96 23.52 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.492 ' O ' ' C ' ' A' ' 141' ' ' GLY . 4.4 m-85 -132.34 -177.75 4.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -30.53 -80.96 0.01 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.537 ' C ' ' CD1' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -110.48 46.14 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.599 ' CD1' ' N ' ' A' ' 143' ' ' PHE . 0.6 OUTLIER -146.6 168.22 21.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.393 1.058 . . . . 0.0 110.978 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.17 116.16 2.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.485 ' CD2' ' CD1' ' A' ' 147' ' ' LEU . 1.4 tt -121.87 154.02 37.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.418 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 63.8 t-20 -159.86 118.41 2.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.589 1.181 . . . . 0.0 109.31 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.539 ' N ' ' CD1' ' A' ' 147' ' ' LEU . 1.3 mp -78.48 -45.87 21.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.365 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -58.12 -19.53 38.94 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.443 1.089 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 15.8 m -112.03 -22.27 11.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 0.718 . . . . 0.0 110.374 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 57.88 45.55 18.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.166 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -143.65 114.51 7.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.374 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.464 ' HG3' ' CD1' ' A' ' 145' ' ' LEU . 0.0 OUTLIER -123.78 145.65 48.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.61 1.194 . . . . 0.0 111.059 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -144.1 172.45 12.87 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 0.0 111.063 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.522 ' HG3' ' CD2' ' A' ' 143' ' ' PHE . 0.8 OUTLIER -160.18 122.95 3.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 0.0 110.357 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 53.43 51.04 16.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.24 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 62.73 31.6 16.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . 0.4 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 6.3 tt0 -126.02 98.51 33.18 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 147.11 33.5 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.471 1.774 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' MET . . . . . 0.402 ' HA ' ' HD3' ' A' ' 160' ' ' PRO . 0.4 OUTLIER -160.12 135.85 6.03 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.508 1.13 . . . . 0.0 110.951 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 159' ' ' MET . 18.2 Cg_endo -75.02 -175.89 2.6 Favored 'Trans proline' 0 C--N 1.362 1.244 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 5.0 mt -142.96 109.51 5.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.179 . . . . 0.0 109.29 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 29.6 m -50.52 151.45 2.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.461 1.1 . . . . 0.0 110.342 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 32.9 m -47.61 -31.37 4.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.942 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.48 ' O ' ' CG2' ' A' ' 168' ' ' VAL . . . -73.81 -53.29 7.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.349 1.031 . . . . 0.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -58.12 -63.47 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 110.307 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.516 ' CE2' ' HA ' ' A' ' 147' ' ' LEU . 6.0 t80 -46.47 -50.77 16.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.088 . . . . 0.0 111.028 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -62.46 -53.36 56.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 164' ' ' GLY . 43.0 t -52.58 -61.04 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.533 1.145 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 1.7 tt -57.5 -35.7 70.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 174' ' ' SER . 13.3 ttpp -59.44 -37.45 78.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.427 ' HB2' ' CD2' ' A' ' 188' ' ' LEU . . . -75.78 -35.17 60.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 109.309 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.504 ' HB3' ' CD1' ' A' ' 232' ' ' PHE . 1.8 mt -70.74 -57.63 4.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.385 1.053 . . . . 0.0 109.376 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.43 -11.77 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.377 1.048 . . . . 0.0 109.208 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 174' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 170' ' ' LYS . 0.4 OUTLIER -71.9 -35.6 69.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.396 1.06 . . . . 0.0 110.019 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -121.36 85.34 42.36 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.619 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . 0.445 ' O ' ' CB ' ' A' ' 177' ' ' ARG . 18.5 Cg_endo -74.96 57.76 4.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 111.043 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.445 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 6.3 mtp180 162.8 -49.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.238 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.21 114.3 28.19 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.232 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 179' ' ' PRO . . . . . 0.437 ' CB ' HD11 ' A' ' 228' ' ' LEU . 18.0 Cg_endo -74.99 160.61 39.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . 0.416 ' O ' ' CD1' ' A' ' 185' ' ' LEU . 37.9 mt -143.74 140.54 30.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 91.5 p -69.18 156.55 38.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.17 -38.38 17.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.329 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -73.29 -47.75 40.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.374 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 6.1 mmtt -61.02 -15.42 31.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.364 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . 0.416 ' CD1' ' O ' ' A' ' 180' ' ' LEU . 0.9 OUTLIER -75.87 -64.51 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -66.05 -17.82 64.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -79.9 -60.6 2.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.58 1.175 . . . . 0.0 109.361 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.427 ' CD2' ' HB2' ' A' ' 171' ' ' ALA . 0.9 OUTLIER -51.44 -49.36 61.86 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.57 1.169 . . . . 0.0 109.327 179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -50.24 -59.39 4.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 173.61 123.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 193' ' ' GLU . . . -93.75 172.4 32.62 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.13 . . . . 0.0 110.962 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.78 -73.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 0.775 . . . . 0.0 110.35 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 191' ' ' GLY . 0.7 OUTLIER -51.43 127.02 18.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.258 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 194' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -79.65 75.1 6.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.591 1.182 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 2.0 t -134.48 -51.85 0.81 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.409 1.068 . . . . 0.0 109.989 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.73 92.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 0.0 109.345 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.48 57.56 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -62.17 -34.31 76.16 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.585 1.178 . . . . 0.0 110.252 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -138.26 -63.38 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.591 1.182 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.28 123.66 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.934 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.464 ' CG2' ' CE2' ' A' ' 230' ' ' TYR . 0.8 OUTLIER -43.81 -53.87 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.592 1.182 . . . . 0.0 109.238 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 202' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 201' ' ' ILE . 1.1 t70 -39.99 -69.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 74.9 t -57.42 -55.26 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 204' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -43.46 -30.86 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.567 HG22 ' CD1' ' A' ' 230' ' ' TYR . 18.2 mm -80.31 -56.18 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 8.1 m -49.13 -43.55 41.67 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 207' ' ' ARG . . . . . 0.4 ' CZ ' ' CB ' ' A' ' 207' ' ' ARG . 1.8 ptp180 -72.86 -29.39 63.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.98 -30.13 70.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 209' ' ' ARG . . . . . 0.402 ' NH2' ' HG3' ' A' ' 219' ' ' PRO . 7.1 mtp180 -74.2 -58.99 2.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.29 -26.58 0.83 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.55 1.157 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 43.4 mtp -67.95 -60.66 2.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.378 1.049 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 212' ' ' VAL . . . . . 0.592 ' O ' ' CE2' ' A' ' 143' ' ' PHE . 28.1 m -72.72 -40.8 61.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.207 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.416 ' N ' HG23 ' A' ' 212' ' ' VAL . 0.0 OUTLIER -135.86 105.92 6.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.594 1.184 . . . . 0.0 110.244 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -80.58 83.3 6.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -133.13 160.56 68.18 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 109.247 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -45.27 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.594 1.839 . . . . 0.0 110.991 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -158.59 54.0 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.22 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -148.29 75.13 10.62 Favored Pre-proline 0 C--N 1.323 -0.557 0 O-C-N 124.512 1.132 . . . . 0.0 109.586 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 219' ' ' PRO . . . . . 0.402 ' HG3' ' NH2' ' A' ' 209' ' ' ARG . 18.5 Cg_endo -74.98 -159.62 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 111.061 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.61 -60.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.45 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.557 ' O ' ' CD1' ' A' ' 232' ' ' PHE . 30.5 m-85 -91.35 20.59 5.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.098 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 222' ' ' ILE . . . . . 0.401 ' CG1' ' O ' ' A' ' 221' ' ' TYR . 21.2 mt -152.49 119.3 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -119.62 104.22 10.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 45.3 m -76.13 133.63 40.2 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.397 1.061 . . . . 0.0 110.376 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 225' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 229' ' ' GLY . 0.0 OUTLIER -137.54 107.31 4.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -52.86 -43.21 65.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 108.073 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -59.76 -22.96 58.17 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.456 1.097 . . . . 0.0 110.943 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . 0.437 HD11 ' CB ' ' A' ' 179' ' ' PRO . 5.7 mt -117.56 -87.21 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 0.799 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 229' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 173.5 -83.51 0.08 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 230' ' ' TYR . . . . . 0.567 ' CD1' HG22 ' A' ' 205' ' ' ILE . 75.2 m-85 -154.22 119.32 5.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 0.796 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . 0.423 ' C ' ' CD2' ' A' ' 172' ' ' LEU . 9.7 p -119.77 174.53 4.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.572 1.17 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.557 ' CD1' ' O ' ' A' ' 221' ' ' TYR . 0.7 OUTLIER -128.49 103.9 7.39 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 73.5 t -102.03 107.51 52.84 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.575 1.172 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.96 3.22 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.453 1.765 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 18.2 t0 54.39 173.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.379 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -72.97 127.02 10.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 1.7 t -178.68 134.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 110.022 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -171.74 145.47 1.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.504 ' CG1' ' CG ' ' A' ' 146' ' ' ASN . 0.9 OUTLIER -124.02 179.0 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.449 ' CD1' HG13 ' A' ' 173' ' ' VAL . 3.7 mp -140.4 113.34 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.525 ' O ' ' CD1' ' A' ' 140' ' ' PHE . . . -123.47 165.46 17.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.369 1.043 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.569 ' CD1' ' CE2' ' A' ' 221' ' ' TYR . 6.3 m-85 -143.18 -178.02 5.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 111.077 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.564 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -22.95 -80.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.26 42.82 2.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.598 ' CE2' ' O ' ' A' ' 212' ' ' VAL . 17.2 m-85 -137.78 163.21 31.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.941 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.412 ' HA ' ' CB ' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -161.05 107.46 1.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.376 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . . . . . . . . . 1.1 tp -120.03 148.01 44.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.504 ' CG ' ' CG1' ' A' ' 137' ' ' VAL . 54.7 t-20 -152.28 116.59 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.362 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.563 HD23 ' CE1' ' A' ' 166' ' ' PHE . 7.7 mt -79.04 -34.91 43.41 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -57.33 -24.95 53.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.13 . . . . 0.0 111.084 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 16.6 m -119.5 -7.14 10.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.751 . . . . 0.0 110.383 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 52.94 50.82 17.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.364 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -143.92 115.8 8.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.381 1.051 . . . . 0.0 110.37 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.422 ' C ' ' CD1' ' A' ' 153' ' ' PHE . 13.1 ttt -128.12 143.45 51.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 152' ' ' MET . 0.1 OUTLIER -137.61 169.88 17.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 154' ' ' ARG . 17.4 ptt85 -154.9 117.7 4.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 57.46 52.23 8.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.248 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 15.7 t0 63.48 23.48 13.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -122.67 99.14 42.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . 0.405 ' HB3' ' CD1' ' A' ' 153' ' ' PHE . 18.3 Cg_endo -74.92 150.79 39.1 Favored 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.423 1.749 . . . . 0.0 111.017 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.07 144.59 10.87 Favored Pre-proline 0 C--N 1.327 -0.405 0 O-C-N 124.436 1.085 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -171.24 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.544 1.813 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 2.0 mt -140.63 128.55 21.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.222 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' THR . . . . . 0.414 HG22 ' N ' ' A' ' 163' ' ' SER . 56.5 m -72.95 155.18 40.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.363 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 167' ' ' ALA . 0.9 OUTLIER -51.56 -43.18 62.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.979 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.414 ' HA3' ' NE2' ' A' ' 204' ' ' GLN . . . -65.07 -51.39 51.16 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.5 -68.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 0.709 . . . . 0.0 110.297 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.563 ' CE1' HD23 ' A' ' 147' ' ' LEU . 20.0 t80 -43.32 -49.22 6.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 163' ' ' SER . . . -62.41 -57.93 9.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 14.9 t -47.43 -54.61 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.167 . . . . 0.0 109.359 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 170' ' ' LYS . 6.0 tp -61.6 -51.81 66.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 174' ' ' SER . 0.1 OUTLIER -39.97 -43.71 1.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -62.01 -54.79 36.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.427 1.079 . . . . 0.0 109.289 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -45.38 86.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . 0.449 HG13 ' CD1' ' A' ' 138' ' ' ILE . 2.6 t -70.43 -19.93 22.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.441 1.088 . . . . 0.0 109.346 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 174' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 170' ' ' LYS . 30.3 t -81.1 -14.1 58.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 110.068 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.04 86.19 4.92 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.628 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 131.27 14.19 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.553 1.817 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 72.85 11.5 5.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -112.86 99.13 47.4 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 110.219 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 179' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.16 133.73 16.7 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.452 1.764 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . 0.471 ' O ' ' CD1' ' A' ' 185' ' ' LEU . 5.8 mt -135.47 132.58 37.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 73.6 p -47.26 161.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.459 1.1 . . . . 0.0 110.044 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . 0.444 ' CG ' ' HB ' ' A' ' 201' ' ' ILE . 8.4 tmm_? -53.28 -31.55 44.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.98 -56.86 4.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 45.8 mmtt -51.98 -25.01 7.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . 0.471 ' CD1' ' O ' ' A' ' 180' ' ' LEU . 0.3 OUTLIER -67.98 -65.82 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.255 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 13.0 ptm -58.6 -21.28 52.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -69.72 -46.22 66.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.618 1.199 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.74 -14.52 63.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -119.65 31.23 6.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -97.16 83.65 3.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -78.28 -158.32 11.3 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.542 1.151 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.17 78.67 2.77 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.532 0.783 . . . . 0.0 110.293 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 66.7 120.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.239 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 194' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 195' ' ' SER . 4.8 p90 -178.48 -36.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 195' ' ' SER . . . . . 0.566 ' HB3' ' CE2' ' A' ' 194' ' ' TYR . 2.6 t -162.39 -43.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.937 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.515 ' O ' ' CB ' ' A' ' 197' ' ' MET . . . 39.7 61.98 1.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.262 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 197' ' ' MET . . . . . 0.515 ' CB ' ' O ' ' A' ' 196' ' ' ALA . 8.2 tmm? 82.08 64.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 198' ' ' GLU . . . . . 0.467 ' OE1' ' CB ' ' A' ' 195' ' ' SER . 7.3 tp10 -39.11 -69.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 12.6 ttt-85 -129.21 -56.61 1.17 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.583 1.177 . . . . 0.0 110.323 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.83 143.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 109.968 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.547 HG22 ' CE2' ' A' ' 230' ' ' TYR . 16.4 mm -54.0 -65.36 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.58 -53.18 2.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.387 1.055 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 86.6 t -50.71 -63.17 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.365 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 204' ' ' GLN . . . . . 0.414 ' NE2' ' HA3' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -53.11 -53.97 42.5 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.578 HG13 ' CD2' ' A' ' 230' ' ' TYR . 27.7 mm -41.47 -49.92 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 8.4 t -55.33 -46.65 76.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.077 . . . . 0.0 109.996 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -68.71 -35.61 77.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.428 1.08 . . . . 0.0 110.327 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 12.7 mt -70.77 -32.05 69.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 209' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 -65.09 -50.62 65.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.383 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.92 -16.84 63.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 14.9 mtp -78.47 -57.76 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 111.046 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 212' ' ' VAL . . . . . 0.598 ' O ' ' CE2' ' A' ' 143' ' ' PHE . 27.0 m -75.75 -28.11 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.365 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 220' ' ' ARG . 0.6 OUTLIER -123.06 -148.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 110.272 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 216' ' ' PRO . 11.0 tt0 -164.92 -52.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 215' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 214' ' ' GLU . 4.5 m-20 -38.46 99.09 0.18 Allowed Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.588 1.18 . . . . 0.0 109.278 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 216' ' ' PRO . . . . . 0.431 ' N ' ' O ' ' A' ' 214' ' ' GLU . 18.7 Cg_endo -75.05 55.17 3.89 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.503 1.791 . . . . 0.0 111.032 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -147.82 -54.78 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 218' ' ' HIS . . . . . 0.452 ' CE1' ' O ' ' A' ' 219' ' ' PRO . 1.6 t-80 -154.13 121.46 2.9 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.561 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 219' ' ' PRO . . . . . 0.452 ' O ' ' CE1' ' A' ' 218' ' ' HIS . 18.6 Cg_endo -74.91 -159.37 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.482 1.78 . . . . 0.0 111.056 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 220' ' ' ARG . . . . . 0.45 ' N ' ' OE1' ' A' ' 213' ' ' GLU . 0.1 OUTLIER -143.93 -51.69 0.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 1.144 . . . . 0.0 110.349 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 232' ' ' PHE . 54.0 m-85 -89.64 21.12 3.62 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.591 1.182 . . . . 0.0 111.02 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 222' ' ' ILE . . . . . 0.489 HD11 ' CD2' ' A' ' 232' ' ' PHE . 26.3 mm -148.05 116.33 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -119.79 94.65 4.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 110.353 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 91.3 m -79.05 112.7 16.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.462 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 225' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 229' ' ' GLY . 2.4 t -106.09 95.54 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -60.01 -20.5 58.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 108.045 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -80.58 -19.87 67.51 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -125.3 -73.23 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 0.753 . . . . 0.0 109.292 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 229' ' ' GLY . . . . . 0.61 ' C ' ' CD1' ' A' ' 230' ' ' TYR . . . -177.58 -102.18 0.15 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.138 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 230' ' ' TYR . . . . . 0.61 ' CD1' ' C ' ' A' ' 229' ' ' GLY . 21.0 m-85 -151.89 121.39 6.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 0.772 . . . . 0.0 110.998 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 9.9 p -119.08 174.02 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.395 1.06 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.57 ' CZ ' ' HB3' ' A' ' 221' ' ' TYR . 5.8 t80 -136.77 109.26 7.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 81.2 t -113.49 94.75 33.38 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.141 . . . . 0.0 109.25 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -75.0 113.82 3.88 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.431 1.753 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 10.2 t0 40.38 77.07 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . 57.54 -169.17 4.22 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 12.1 t -133.69 131.87 39.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 0.81 . . . . 0.0 109.978 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 45.41 88.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.397 1.061 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.39 0 O-C-N 124.472 1.107 . . . . 0.0 109.223 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.491 ' C ' ' CG1' ' A' ' 137' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.491 ' CG1' ' C ' ' A' ' 136' ' ' ALA . 0.9 OUTLIER -153.72 -179.16 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.569 1.168 . . . . 0.0 109.341 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.544 HG22 ' CZ ' ' A' ' 140' ' ' PHE . 3.3 mp -139.41 115.26 8.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.45 1.094 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.8 158.52 26.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.634 ' N ' ' CD1' ' A' ' 140' ' ' PHE . 0.3 OUTLIER -134.11 -177.91 4.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.406 1.066 . . . . 0.0 111.055 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -34.53 -79.88 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.13 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.626 ' C ' ' CD1' ' A' ' 143' ' ' PHE . 27.7 mttp -110.92 49.65 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 0.769 . . . . 0.0 109.206 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.626 ' CD1' ' C ' ' A' ' 142' ' ' LYS . 0.8 OUTLIER -152.52 168.78 24.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.956 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -160.57 116.55 2.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.471 HD13 ' CD2' ' A' ' 169' ' ' LEU . 1.7 tt -123.9 159.42 29.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 148' ' ' GLY . 35.9 t-20 -160.4 114.22 2.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.36 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . . . . . . . . . 7.8 mt -75.98 -41.1 52.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.234 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . 0.426 ' N ' ' OD1' ' A' ' 146' ' ' ASN . . . -60.69 -18.62 52.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.542 1.151 . . . . 0.0 111.06 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 75.7 m -117.11 -9.09 11.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.594 0.82 . . . . 0.0 110.447 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 49.61 52.07 15.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.568 1.168 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.95 123.57 6.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.562 ' C ' ' CD1' ' A' ' 153' ' ' PHE . 13.6 ttt -131.0 152.86 49.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.634 1.209 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -143.32 159.88 41.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 111.023 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.59 116.45 5.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 68.48 54.61 0.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 110.241 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 50.42 59.08 4.83 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -152.13 102.11 2.81 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 130.83 13.65 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.464 1.771 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -159.48 136.82 7.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -163.49 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.438 1.757 . . . . 0.0 111.058 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -160.08 129.91 5.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.584 1.178 . . . . 0.0 109.329 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 4.2 p -43.89 167.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.548 1.155 . . . . 0.0 110.382 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.429 ' CB ' ' OG ' ' A' ' 195' ' ' SER . 17.7 m -67.61 -55.22 14.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.983 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.659 ' N ' ' HG ' ' A' ' 195' ' ' SER . . . -46.17 -47.68 15.48 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.534 1.146 . . . . 0.0 110.971 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -58.58 -49.18 78.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 0.748 . . . . 0.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.453 ' C ' ' CD1' ' A' ' 166' ' ' PHE . 4.5 t80 -61.9 -51.32 68.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -54.48 -62.13 1.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 109.208 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 71.3 t -50.75 -60.21 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.42 1.075 . . . . 0.0 109.35 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.471 ' CD2' HD13 ' A' ' 145' ' ' LEU . 4.2 tp -48.02 -57.62 5.53 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 174' ' ' SER . 0.4 OUTLIER -54.04 -35.51 62.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -60.4 -42.17 95.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.225 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.15 -37.44 57.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . 0.466 HG12 ' CD1' ' A' ' 138' ' ' ILE . 53.8 t -80.09 -0.95 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.423 1.077 . . . . 0.0 109.34 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 174' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 170' ' ' LYS . 0.8 OUTLIER -96.4 -22.25 17.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.944 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -121.89 87.4 46.78 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.586 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 122.93 7.52 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.523 1.802 . . . . 0.0 111.08 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 16.2 ttt-85 63.33 35.04 12.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.33 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -135.83 100.53 10.94 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.345 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 179' ' ' PRO . . . . . 0.458 ' CG ' ' HG ' ' A' ' 228' ' ' LEU . 18.1 Cg_endo -75.03 138.56 23.11 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.553 1.817 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 27.3 mt -143.49 134.14 25.05 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 0.0 109.429 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 181' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 184' ' ' LYS . 45.9 p -59.48 146.4 40.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . 0.573 ' HB3' ' CE1' ' A' ' 230' ' ' TYR . 0.0 OUTLIER -44.94 -33.37 1.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . 0.525 ' N ' ' CD ' ' A' ' 182' ' ' ARG . 2.9 t70 -64.31 -42.42 96.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 181' ' ' SER . 0.0 OUTLIER -62.09 -48.66 79.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . 0.458 ' CD2' HD11 ' A' ' 201' ' ' ILE . 4.0 mp -44.49 -47.47 10.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.22 -52.28 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -48.97 -31.29 7.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 4.4 tp -79.59 -38.92 32.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -96.63 33.56 1.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -114.11 93.58 4.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.316 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -178.64 91.11 0.08 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 44.72 61.16 2.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.555 0.797 . . . . 0.0 110.357 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -172.89 94.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 194' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -77.56 80.85 4.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 195' ' ' SER . . . . . 0.659 ' HG ' ' N ' ' A' ' 164' ' ' GLY . 0.1 OUTLIER -133.53 -48.25 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.947 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -69.25 -37.51 77.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.429 1.08 . . . . 0.0 109.309 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.66 53.79 2.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.75 -53.85 3.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.225 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 28.4 ttt85 -143.36 -67.15 0.36 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' SER . . . . . 0.423 ' O ' ' CG ' ' A' ' 204' ' ' GLN . 18.7 t -170.99 -179.65 2.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.559 HG23 ' CE2' ' A' ' 230' ' ' TYR . 1.4 mm -98.99 -60.99 2.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.9 -33.82 1.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.574 1.171 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 203' ' ' VAL . . . . . 0.424 ' CG1' ' N ' ' A' ' 204' ' ' GLN . 0.4 OUTLIER -80.1 -44.94 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 204' ' ' GLN . . . . . 0.424 ' N ' ' CG1' ' A' ' 203' ' ' VAL . 17.4 mm-40 -57.95 -61.95 2.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.424 ' O ' ' CG ' ' A' ' 209' ' ' ARG . 1.8 pt -49.55 -34.73 8.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 3.3 m -67.58 -38.72 84.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.971 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -80.31 -25.39 39.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.322 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 54.8 mt -77.02 -49.85 14.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 209' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' A' ' 205' ' ' ILE . 0.1 OUTLIER -62.7 -28.63 70.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -36.2 71.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.358 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 1.4 mmm -65.17 -45.68 83.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 111.088 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 212' ' ' VAL . . . . . 0.485 ' O ' ' CE2' ' A' ' 143' ' ' PHE . 29.7 m -80.18 -28.51 12.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.375 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 36.6 mm-40 -113.2 -147.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -175.89 40.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -119.58 154.09 54.42 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -37.96 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.44 1.758 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -155.14 51.99 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.152 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -150.38 69.89 8.93 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.616 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -75.04 -159.84 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.494 1.786 . . . . 0.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.87 -60.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 110.269 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.47 ' O ' ' CD1' ' A' ' 232' ' ' PHE . 44.4 m-85 -87.94 21.87 2.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.11 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 222' ' ' ILE . . . . . . . . . . . . . 14.0 mt -150.62 115.91 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.206 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -121.0 91.85 3.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.372 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 224' ' ' THR . . . . . 0.413 ' OG1' ' CD1' ' A' ' 205' ' ' ILE . 98.3 m -72.86 112.42 8.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.484 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 225' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 229' ' ' GLY . 3.0 t -105.08 125.97 60.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 109.366 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -74.21 -34.22 63.63 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -76.79 -19.52 77.61 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . 0.458 ' HG ' ' CG ' ' A' ' 179' ' ' PRO . 0.2 OUTLIER -114.54 -76.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.78 . . . . 0.0 109.249 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 229' ' ' GLY . . . . . 0.572 ' C ' ' CD1' ' A' ' 230' ' ' TYR . . . 162.96 -87.84 0.1 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 230' ' ' TYR . . . . . 0.573 ' CE1' ' HB3' ' A' ' 182' ' ' ARG . 37.2 m-85 -149.84 118.38 6.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.404 0.708 . . . . 0.0 111.013 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 1.4 p -119.62 155.56 22.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.47 ' CD1' ' O ' ' A' ' 221' ' ' TYR . 42.2 t80 -122.59 100.86 7.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 96.3 t -110.96 98.49 38.84 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 109.215 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -165.93 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.451 1.764 . . . . 0.0 110.999 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -76.04 101.9 5.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.073 . . . . 0.0 109.347 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . 88.69 120.19 1.7 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.969 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 6.7 t -138.44 164.76 28.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 0.782 . . . . 0.0 109.991 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 7.6 tptt -79.0 110.71 14.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.515 1.134 . . . . 0.0 109.357 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.484 ' CG1' ' CG ' ' A' ' 146' ' ' ASN . 1.0 OUTLIER -71.61 -175.03 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.403 1.064 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.516 ' CG2' ' CE1' ' A' ' 140' ' ' PHE . 3.0 mp -146.11 115.14 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -122.81 159.88 27.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.583 ' O ' ' C ' ' A' ' 141' ' ' GLY . 6.2 m-85 -134.93 -176.77 4.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.583 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -21.14 -83.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.549 1.155 . . . . 0.0 110.992 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.56 31.33 6.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 0.735 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.587 ' CD2' ' HG3' ' A' ' 154' ' ' ARG . 1.9 m-85 -122.66 166.05 15.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.577 ' HB3' ' CE2' ' A' ' 153' ' ' PHE . 0.1 OUTLIER -160.78 110.41 1.7 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.459 1.1 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 138' ' ' ILE . 1.4 tt -120.79 151.25 39.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.484 ' CG ' ' CG1' ' A' ' 137' ' ' VAL . 52.9 t-20 -155.54 121.02 4.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.489 ' HB3' ' CE2' ' A' ' 166' ' ' PHE . 16.1 mt -80.41 -38.01 31.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -57.83 -27.03 58.74 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.539 1.149 . . . . 0.0 111.094 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 61.0 m -113.37 -15.94 12.56 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.514 0.773 . . . . 0.0 110.404 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.413 ' HB3' ' NH1' ' A' ' 150' ' ' ARG . 9.1 ttp-105 57.89 48.78 12.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 1.067 . . . . 0.0 110.247 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -139.93 112.2 7.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 110.251 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' MET . . . . . . . . . . . . . 23.4 ttt -121.37 141.23 51.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 111.064 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.577 ' CE2' ' HB3' ' A' ' 144' ' ' LYS . 0.7 OUTLIER -156.89 167.45 30.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.587 ' HG3' ' CD2' ' A' ' 143' ' ' PHE . 3.5 ttt180 -156.44 113.29 3.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 67.4 57.97 0.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 15.4 t0 53.48 63.44 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 153' ' ' PHE . 3.6 tp10 -151.94 98.93 2.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 121.32 6.51 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.787 . . . . 0.0 110.974 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.61 117.91 21.26 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 154.19 42.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.428 1.752 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.94 137.13 54.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 85.5 m -86.76 156.29 19.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 110.442 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 29.1 p -49.68 -54.24 19.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.036 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -50.68 -56.39 13.74 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.602 1.189 . . . . 0.0 110.977 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 208' ' ' LEU . 0.9 OUTLIER -60.63 -68.51 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 0.74 . . . . 0.0 110.314 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.574 ' CE1' ' HG3' ' A' ' 170' ' ' LYS . 1.5 t80 -40.67 -42.75 1.79 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.416 1.073 . . . . 0.0 111.016 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -63.99 -44.44 92.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.358 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 165' ' ' GLU . 10.3 t -60.47 -59.93 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 1.7 tp -58.33 -27.42 64.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.174 . . . . 0.0 109.338 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . 0.574 ' HG3' ' CE1' ' A' ' 166' ' ' PHE . 0.1 OUTLIER -60.65 -65.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.394 1.059 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -44.66 -52.58 8.08 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.552 1.157 . . . . 0.0 109.382 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -55.81 -53.59 54.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . 0.468 ' CG1' HD13 ' A' ' 138' ' ' ILE . 35.3 t -65.58 -11.32 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 174' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 170' ' ' LYS . 0.6 OUTLIER -83.92 -10.31 58.06 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.394 1.059 . . . . 0.0 110.028 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . 0.421 ' CD2' ' O ' ' A' ' 174' ' ' SER . 6.3 m170 -151.28 89.97 4.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.619 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 125.34 9.25 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 71.53 42.17 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.254 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -145.44 101.15 4.37 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.462 1.101 . . . . 0.0 110.35 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 179' ' ' PRO . . . . . 0.56 ' CG ' ' CD1' ' A' ' 228' ' ' LEU . 18.3 Cg_endo -74.99 146.84 33.16 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.492 1.785 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.57 136.8 24.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 181' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 184' ' ' LYS . 5.0 t -52.28 142.71 16.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.16 -29.21 2.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.302 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.24 -39.61 71.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.235 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 181' ' ' SER . 6.4 mmtt -77.13 -14.22 59.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . 0.591 ' HG ' ' CD2' ' A' ' 230' ' ' TYR . 0.2 OUTLIER -69.69 -66.77 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 17.2 ptm -60.34 -26.49 66.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 190' ' ' ARG . 0.9 OUTLIER -68.16 -60.71 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.197 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.6 tp -51.72 -25.03 6.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -104.89 35.04 2.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 187' ' ' ASN . 0.0 OUTLIER -117.86 80.1 1.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.25 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -146.93 -121.3 1.28 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 0.0 111.04 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 14.1 ttt-85 -39.31 -61.84 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 0.8 . . . . 0.0 110.251 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.08 120.55 37.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 194' ' ' TYR . . . . . 0.629 ' CE1' ' CB ' ' A' ' 196' ' ' ALA . 9.1 t80 -39.92 -65.08 0.43 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.583 1.177 . . . . 0.0 110.975 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 47.2 t 39.04 42.28 0.66 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.521 1.138 . . . . 0.0 109.935 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . 0.629 ' CB ' ' CE1' ' A' ' 194' ' ' TYR . . . -108.88 -61.81 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.98 47.2 1.26 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.568 1.168 . . . . 0.0 111.004 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -81.77 -47.58 12.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.77 -73.68 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.5 1.125 . . . . 0.0 110.22 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 1.6 t -179.0 145.94 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.373 1.045 . . . . 0.0 110.011 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.452 ' O ' ' N ' ' A' ' 204' ' ' GLN . 2.9 mp -70.24 -61.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 202' ' ' ASP . . . . . 0.444 ' N ' ' OH ' ' A' ' 230' ' ' TYR . 0.8 OUTLIER -40.61 -35.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 79.8 t -78.77 -46.46 24.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 204' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 201' ' ' ILE . 1.8 mt-30 -60.75 -58.91 6.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.468 HD12 ' CG2' ' A' ' 222' ' ' ILE . 6.8 pt -52.64 -32.53 17.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 109.348 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 206' ' ' SER . . . . . 0.416 ' N ' HG13 ' A' ' 205' ' ' ILE . 1.6 m -67.7 -51.19 52.41 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.438 1.086 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -63.01 -38.63 91.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 165' ' ' GLU . 75.6 mt -66.85 -30.85 71.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.214 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 209' ' ' ARG . . . . . 0.427 ' HA ' ' NE ' ' A' ' 209' ' ' ARG . 8.2 mmp_? -80.03 -50.75 9.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.401 1.063 . . . . 0.0 110.27 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -43.58 -34.97 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -54.71 -59.5 4.64 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.55 1.156 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 212' ' ' VAL . . . . . 0.423 HG22 ' N ' ' A' ' 213' ' ' GLU . 26.2 m -79.91 -47.05 22.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 109.37 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.423 ' N ' HG22 ' A' ' 212' ' ' VAL . 11.5 mm-40 -90.64 84.82 5.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 215' ' ' ASP . 31.2 tt0 -39.05 -65.77 0.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.221 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 215' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 214' ' ' GLU . 18.9 m-20 -39.87 100.2 0.21 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 70.87 5.2 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.434 1.755 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -176.15 -57.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -93.8 111.9 54.68 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.544 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -159.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.413 1.744 . . . . 0.0 111.078 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -151.65 -71.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.561 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 56.2 m-85 -92.42 20.6 6.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 222' ' ' ILE . . . . . 0.561 HD11 ' CD2' ' A' ' 232' ' ' PHE . 16.0 mm -148.04 117.02 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -119.67 92.08 3.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.605 1.19 . . . . 0.0 110.337 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 54.2 m -67.71 112.15 4.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 0.0 110.388 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 225' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 229' ' ' GLY . 37.6 t -112.93 136.65 48.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.374 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -72.72 -71.79 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -40.01 -33.37 0.45 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.417 1.073 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . 0.56 ' CD1' ' CG ' ' A' ' 179' ' ' PRO . 7.2 mt -97.99 -85.05 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.742 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 229' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 161.01 -84.77 0.12 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 230' ' ' TYR . . . . . 0.591 ' CD2' ' HG ' ' A' ' 185' ' ' LEU . 38.5 m-85 -142.23 116.52 9.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 0.731 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -119.63 146.98 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.406 1.066 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.561 ' CD2' HD11 ' A' ' 222' ' ' ILE . 4.4 t80 -119.7 99.33 6.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.52 1.137 . . . . 0.0 111.083 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 76.8 t -108.32 101.86 44.15 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 161.65 38.45 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.465 1.771 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 40.63 85.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -37.86 127.23 1.5 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.118 . . . . 0.0 111.001 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.54 -58.19 2.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 109.971 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.98 119.25 38.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.4 1.062 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 109.346 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.434 ' O ' ' O ' ' A' ' 137' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.457 HG22 ' N ' ' A' ' 138' ' ' ILE . 1.4 m 46.34 -173.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 145' ' ' LEU . 3.6 mp -123.69 100.89 8.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.568 1.167 . . . . 0.0 109.274 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -120.32 135.35 55.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.335 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.451 ' CD2' ' CE2' ' A' ' 221' ' ' TYR . 4.2 p90 -157.04 79.99 0.92 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 129.33 -99.37 0.47 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 1.2 mptt -133.67 9.93 3.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 0.806 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.92 153.65 48.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.16 138.19 33.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 138' ' ' ILE . 0.8 OUTLIER -123.65 132.09 53.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.399 1.062 . . . . 0.0 109.267 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 150' ' ' ARG . 28.8 t-20 -134.21 112.18 10.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 166' ' ' PHE . 15.6 mt -76.34 -41.7 47.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.172 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -54.19 -25.49 32.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.12 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' THR . . . . . 0.415 ' HB ' ' ND2' ' A' ' 146' ' ' ASN . 20.8 m -119.04 -7.16 10.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 0.764 . . . . 0.0 110.401 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 150' ' ' ARG . 0.0 OUTLIER 45.8 53.91 8.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.644 1.215 . . . . 0.0 110.32 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.458 ' HB3' ' CE2' ' A' ' 153' ' ' PHE . 7.3 mm-40 -144.75 116.01 7.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.157 . . . . 0.0 110.297 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.471 ' O ' ' N ' ' A' ' 159' ' ' MET . 8.6 ttt -119.28 144.57 46.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 111.082 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.553 ' N ' ' CD1' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -156.45 151.6 26.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.934 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.542 ' O ' ' CB ' ' A' ' 155' ' ' GLU . 0.0 OUTLIER -127.12 103.67 7.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.542 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 5.7 tt0 89.2 -32.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.312 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.434 ' CB ' ' O ' ' A' ' 155' ' ' GLU . 0.9 OUTLIER 160.7 -28.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.45 125.41 85.85 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.389 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.86 147.41 34.56 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.552 1.817 . . . . 0.0 111.036 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' MET . . . . . 0.471 ' N ' ' O ' ' A' ' 152' ' ' MET . 20.0 mtp -140.33 105.11 6.56 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 147.13 33.9 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.411 1.743 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.402 ' CD1' HD11 ' A' ' 145' ' ' LEU . 4.5 mt -121.94 132.96 54.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.38 1.05 . . . . 0.0 109.232 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 32.7 m -78.38 171.56 14.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.539 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 57.9 m -56.31 -50.65 70.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 109.945 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -63.98 -44.98 95.16 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.53 1.144 . . . . 0.0 111.073 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 168' ' ' VAL . 70.4 mt-10 -57.5 -65.97 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.397 0.704 . . . . 0.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.552 ' CE1' ' HG3' ' A' ' 170' ' ' LYS . 2.5 t80 -44.93 -28.18 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 111.071 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -77.46 -41.59 39.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.465 ' CG2' HD12 ' A' ' 201' ' ' ILE . 71.2 t -62.36 -59.61 4.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.501 ' O ' ' CG2' ' A' ' 173' ' ' VAL . 1.6 mt -58.88 -24.16 61.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . 0.552 ' HG3' ' CE1' ' A' ' 166' ' ' PHE . 0.0 OUTLIER -62.3 -67.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.368 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 175' ' ' HIS . . . -50.29 -45.58 54.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.153 . . . . 0.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.22 -43.24 99.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.402 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 169' ' ' LEU . 61.0 t -80.0 -1.7 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.374 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 174' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 170' ' ' LYS . 1.0 OUTLIER -123.47 11.82 9.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 171' ' ' ALA . 10.4 m-70 -123.17 76.07 51.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.567 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 103.07 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.547 1.814 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.407 ' NH1' ' HB3' ' A' ' 177' ' ' ARG . 16.3 ttm105 56.6 48.37 16.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.343 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -156.0 92.53 2.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 179' ' ' PRO . . . . . 0.445 ' CA ' ' HB ' ' A' ' 231' ' ' VAL . 18.4 Cg_endo -74.93 144.23 30.25 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.57 1.826 . . . . 0.0 111.045 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . 0.474 ' O ' ' CD1' ' A' ' 185' ' ' LEU . 2.7 tp -142.74 137.98 30.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.239 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 181' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 184' ' ' LYS . 3.6 m -48.22 137.19 11.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.038 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . 0.521 ' HB3' ' CE1' ' A' ' 230' ' ' TYR . 0.1 OUTLIER -46.33 -26.97 0.92 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -36.69 78.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 181' ' ' SER . 2.9 mmtm -76.87 -36.7 56.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.387 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . 0.474 ' CD1' ' O ' ' A' ' 180' ' ' LEU . 4.9 mp -53.43 -47.22 69.84 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -75.21 -51.71 12.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 111.047 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -52.04 -57.94 8.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 41.1 tp -52.74 -32.85 45.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -66.51 -59.0 4.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.295 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.05 38.51 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.412 1.07 . . . . 0.0 110.233 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -74.1 161.9 54.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.4 -39.9 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -93.19 117.2 29.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.36 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 194' ' ' TYR . . . . . 0.601 ' CD1' ' N ' ' A' ' 195' ' ' SER . 26.1 p90 -38.43 -38.54 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 195' ' ' SER . . . . . 0.601 ' N ' ' CD1' ' A' ' 194' ' ' TYR . 0.3 OUTLIER 45.7 84.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.916 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -163.39 -48.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 28.4 ttm -96.41 33.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.075 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -126.67 -46.02 1.6 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.256 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -166.72 90.73 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.331 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 3.8 m -40.92 158.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.087 . . . . 0.0 110.064 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.516 HG23 ' CE2' ' A' ' 230' ' ' TYR . 3.4 mm -55.85 -47.95 78.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.369 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -55.23 37.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 55.8 t -55.17 -59.88 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 204' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.66 -55.75 15.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.245 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.554 HG13 ' CD2' ' A' ' 230' ' ' TYR . 4.6 mm -44.72 -54.02 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.43 -45.51 18.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.944 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.17 -31.52 70.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . 0.468 HD13 ' CD1' ' A' ' 169' ' ' LEU . 4.6 mm? -71.45 -29.75 65.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 209' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 213' ' ' GLU . 42.8 mtt180 -66.32 -43.48 86.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -23.32 62.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.345 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 34.3 ttm -70.88 -60.91 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 212' ' ' VAL . . . . . . . . . . . . . 16.0 m -79.96 -32.91 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.331 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 209' ' ' ARG . 3.6 mm-40 -122.28 -148.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 215' ' ' ASP . 2.6 tm-20 -172.11 -47.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.325 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 215' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 214' ' ' GLU . 8.1 t0 -39.81 100.12 0.21 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 216' ' ' PRO . . . . . 0.4 ' N ' ' O ' ' A' ' 214' ' ' GLU . 18.2 Cg_endo -75.01 56.01 4.13 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 110.946 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . 0.464 ' O ' ' CG ' ' A' ' 218' ' ' HIS . . . -148.46 -52.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 218' ' ' HIS . . . . . 0.464 ' CG ' ' O ' ' A' ' 217' ' ' ALA . 7.4 m170 -167.2 117.06 0.71 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.648 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -159.59 0.09 OUTLIER 'Trans proline' 0 C--N 1.358 1.069 0 O-C-N 124.455 1.766 . . . . 0.0 111.049 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -129.02 -54.69 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.567 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 87.4 m-85 -88.31 21.62 2.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 222' ' ' ILE . . . . . 0.487 HD11 ' CE2' ' A' ' 232' ' ' PHE . 17.5 mm -142.43 114.24 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.413 1.07 . . . . 0.0 109.308 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 223' ' ' GLN . . . . . 0.441 ' O ' ' CG1' ' A' ' 231' ' ' VAL . 1.1 mt-30 -119.52 81.96 1.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.353 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 224' ' ' THR . . . . . 0.563 HG22 ' CE2' ' A' ' 230' ' ' TYR . 41.7 m -86.21 115.14 23.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 225' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 229' ' ' GLY . 0.0 OUTLIER -118.02 99.01 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 109.294 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 1.9 p90 -50.55 -35.07 28.04 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -60.69 -25.47 63.56 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.516 1.135 . . . . 0.0 111.072 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 5.4 mt -118.78 -74.16 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 0.775 . . . . 0.0 109.274 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 229' ' ' GLY . . . . . 0.55 ' C ' ' CD1' ' A' ' 230' ' ' TYR . . . 179.85 -108.5 0.24 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 230' ' ' TYR . . . . . 0.563 ' CE2' HG22 ' A' ' 224' ' ' THR . 30.6 m-85 -147.59 115.27 6.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 0.74 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . 0.445 ' HB ' ' CA ' ' A' ' 179' ' ' PRO . 3.3 p -119.65 161.28 19.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 5.0 t80 -124.68 100.6 6.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 55.1 t -106.66 103.61 47.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 167.23 27.51 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.469 1.773 . . . . 0.0 110.997 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -50.65 97.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.241 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . 178.77 -130.79 1.6 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -162.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 109.976 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.85 173.22 10.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.509 ' CG1' ' CG ' ' A' ' 146' ' ' ASN . 1.0 OUTLIER -70.26 -178.37 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.207 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.494 HG22 ' CE1' ' A' ' 140' ' ' PHE . 1.9 mp -141.7 111.69 2.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.479 ' CB ' ' HA ' ' A' ' 144' ' ' LYS . . . -124.07 155.05 39.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.508 ' O ' ' C ' ' A' ' 141' ' ' GLY . 7.6 m-85 -129.87 -177.97 4.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 111.027 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.508 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -28.06 -81.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.569 1.168 . . . . 0.0 111.067 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.504 ' C ' ' CD1' ' A' ' 143' ' ' PHE . 1.6 mttt -108.59 43.57 1.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 0.726 . . . . 0.0 109.345 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.581 ' CD2' ' HG3' ' A' ' 154' ' ' ARG . 0.7 OUTLIER -144.02 161.77 37.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.479 ' HA ' ' CB ' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -159.93 108.42 1.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.216 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.465 HD13 ' CD1' ' A' ' 161' ' ' LEU . 5.2 tt -120.13 157.15 29.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.509 ' CG ' ' CG1' ' A' ' 137' ' ' VAL . 56.6 t-20 -156.96 127.02 6.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.53 ' N ' ' CD1' ' A' ' 147' ' ' LEU . 2.0 mp -80.06 -49.44 11.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -53.64 -32.12 46.2 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.452 1.095 . . . . 0.0 111.028 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' THR . . . . . 0.459 ' OG1' ' ND2' ' A' ' 146' ' ' ASN . 85.4 m -102.06 -14.11 17.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 0.737 . . . . 0.0 110.401 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 49.08 52.4 14.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 110.381 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.415 ' HB3' ' CE1' ' A' ' 153' ' ' PHE . 27.7 mm-40 -147.64 117.73 7.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.537 ' O ' ' CD1' ' A' ' 153' ' ' PHE . 10.2 ttt -125.49 154.93 41.32 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.537 ' CD1' ' O ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -157.89 172.41 18.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 111.0 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.581 ' HG3' ' CD2' ' A' ' 143' ' ' PHE . 0.1 OUTLIER -160.14 123.53 3.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.233 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 57.66 50.81 10.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 2.2 t0 62.2 23.7 14.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.419 1.075 . . . . 0.0 109.236 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 3.1 tm-20 -110.43 103.21 53.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.22 21.4 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.542 1.812 . . . . 0.0 110.93 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 1.5 ptm -160.0 127.82 2.79 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -164.56 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 111.016 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . 0.465 ' CD1' HD13 ' A' ' 145' ' ' LEU . 6.0 mt -143.68 138.54 28.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' THR . . . . . 0.406 HG23 ' N ' ' A' ' 163' ' ' SER . 31.0 m -75.0 149.23 39.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.541 1.151 . . . . 0.0 110.372 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.406 ' N ' HG23 ' A' ' 162' ' ' THR . 50.0 m -45.41 -37.27 4.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.93 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . 0.487 ' O ' ' CG2' ' A' ' 168' ' ' VAL . . . -72.6 -52.01 10.89 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.556 1.16 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 204' ' ' GLN . 0.1 OUTLIER -55.97 -64.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 0.757 . . . . 0.0 110.324 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.519 ' CZ ' ' HB3' ' A' ' 147' ' ' LEU . 5.3 t80 -43.87 -50.71 7.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -59.99 -49.38 77.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.487 ' CG2' ' O ' ' A' ' 164' ' ' GLY . 79.6 t -57.08 -61.49 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.388 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 5.0 tt -58.74 -19.7 42.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 174' ' ' SER . 22.4 tttt -79.89 -55.19 5.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.076 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -61.23 -26.29 67.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 2.3 mt -79.92 -50.69 10.09 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -78.1 0.12 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 174' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 170' ' ' LYS . 7.4 m -95.95 -22.68 17.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.609 1.193 . . . . 0.0 109.942 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . 0.419 ' NE2' ' OE2' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -121.03 89.63 46.31 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.609 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.14 120.02 5.85 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.466 1.771 . . . . 0.0 110.958 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 62.39 31.09 17.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.419 ' OE2' ' NE2' ' A' ' 175' ' ' HIS . 0.2 OUTLIER -131.72 88.61 41.97 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 110.276 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 179' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 138.94 23.9 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.515 1.797 . . . . 0.0 111.042 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . 0.437 ' HB3' ' CB ' ' A' ' 184' ' ' LYS . 6.4 mt -142.53 165.77 26.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.178 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.17 154.75 33.83 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.431 1.082 . . . . 0.0 109.989 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . 0.504 ' HG3' ' CE1' ' A' ' 230' ' ' TYR . 0.0 OUTLIER -51.47 -33.03 29.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.285 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -68.67 -48.81 62.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.181 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . 0.437 ' CB ' ' HB3' ' A' ' 180' ' ' LEU . 2.4 mmtt -52.65 -35.6 55.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.243 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . 0.46 ' CD2' HD13 ' A' ' 201' ' ' ILE . 5.4 mp -57.63 -64.47 0.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 21.7 ptm -62.24 -24.33 67.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 111.044 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.76 -32.72 52.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 184' ' ' LYS . 3.8 tt -69.3 -39.6 78.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -53.82 -62.93 1.34 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.54 85.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 110.269 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -108.53 -93.65 2.3 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.428 1.08 . . . . 0.0 111.049 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 179.85 -37.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.772 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -69.35 176.78 3.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.249 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 194' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -70.4 78.37 0.55 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 17.7 t -126.93 44.77 2.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.051 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -128.45 -66.8 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 3.4 tpt -42.56 -34.91 0.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.86 62.63 4.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.68 80.97 7.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.619 1.199 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' SER . . . . . 0.503 ' O ' ' CG ' ' A' ' 204' ' ' GLN . 0.1 OUTLIER -135.12 78.91 1.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.605 1.191 . . . . 0.0 109.949 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.46 HD13 ' CD2' ' A' ' 185' ' ' LEU . 2.8 mm -80.83 -71.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -44.15 -28.74 0.53 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.438 1.086 . . . . 0.0 109.2 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 203' ' ' VAL . . . . . 0.413 ' N ' ' C ' ' A' ' 201' ' ' ILE . 66.7 t -80.08 -55.85 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.215 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 204' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 200' ' ' SER . 14.3 mm-40 -50.24 -58.51 5.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . . . . . . . . . 4.4 pt -48.57 -26.99 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.29 -36.52 58.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 207' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 204' ' ' GLN . 67.1 mtt180 -79.12 -34.22 43.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.382 1.051 . . . . 0.0 110.33 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 17.0 mt -72.1 -31.81 66.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.587 1.179 . . . . 0.0 109.259 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 209' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 213' ' ' GLU . 3.9 mmp_? -72.92 -43.87 61.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.386 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -69.08 -17.82 63.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.345 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 1.5 ttp -75.11 -62.56 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 111.044 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 212' ' ' VAL . . . . . 0.465 ' CG1' ' HE1' ' A' ' 152' ' ' MET . 6.5 m -81.08 -34.46 13.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 209' ' ' ARG . 17.0 mm-40 -115.12 88.61 2.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -70.6 61.98 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.339 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -134.13 153.32 79.52 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -32.36 5.4 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.468 1.772 . . . . 0.0 111.047 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -158.45 61.96 0.44 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 109.233 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -144.21 69.94 16.08 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 109.484 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -159.63 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.787 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.78 -67.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.565 ' HB3' ' CZ ' ' A' ' 232' ' ' PHE . 42.1 m-85 -88.49 21.14 3.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 222' ' ' ILE . . . . . 0.555 HD12 ' CD2' ' A' ' 232' ' ' PHE . 18.9 mm -143.71 117.34 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.387 1.055 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -119.21 88.76 2.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.417 1.073 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 224' ' ' THR . . . . . 0.551 HG23 ' CE2' ' A' ' 230' ' ' TYR . 33.5 m -83.31 113.16 20.51 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.453 1.096 . . . . 0.0 110.364 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 225' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 229' ' ' GLY . 35.0 m -125.36 119.3 55.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -67.0 -33.1 74.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.614 1.197 . . . . 0.0 108.038 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -59.1 -21.9 54.2 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.4 1.063 . . . . 0.0 111.018 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . 0.442 ' CB ' HG22 ' A' ' 225' ' ' VAL . 0.2 OUTLIER -128.53 -76.64 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 0.71 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 229' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 176.67 -115.91 0.53 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.432 1.083 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 230' ' ' TYR . . . . . 0.551 ' CE2' HG23 ' A' ' 224' ' ' THR . 11.7 m-85 -136.06 114.53 11.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.363 0.684 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . 0.415 HG21 ' N ' ' A' ' 232' ' ' PHE . 3.1 p -119.47 156.25 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 221' ' ' TYR . 30.0 t80 -119.81 98.77 6.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 111.081 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 73.2 t -106.04 104.35 49.03 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.371 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 115.59 4.33 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.558 1.82 . . . . 0.0 110.952 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.53 117.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -42.36 104.21 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 111.071 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 90.4 p -162.36 174.29 12.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.586 0.815 . . . . 0.0 109.987 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -87.73 -63.56 1.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.467 ' HB ' ' CB ' ' A' ' 146' ' ' ASN . 0.9 OUTLIER -133.13 -176.52 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 145' ' ' LEU . 1.4 mm -134.93 107.15 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.494 ' CB ' ' HA ' ' A' ' 144' ' ' LYS . . . -129.87 156.41 44.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 109.239 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 142' ' ' LYS . 0.9 OUTLIER -135.6 79.26 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 57.2 -82.52 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.416 1.073 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 140' ' ' PHE . 0.0 OUTLIER -78.22 -41.62 33.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 109.331 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 212' ' ' VAL . 56.5 m-85 -73.86 162.43 29.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.037 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.494 ' HA ' ' CB ' ' A' ' 139' ' ' ALA . 2.3 ptpp? -160.39 105.28 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 138' ' ' ILE . 0.1 OUTLIER -122.91 159.95 27.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.386 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.467 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 64.7 t-20 -160.23 122.52 3.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.221 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.549 ' HA ' ' CE2' ' A' ' 166' ' ' PHE . 8.6 mp -83.97 -44.26 14.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.219 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -60.02 -13.69 28.12 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' THR . . . . . 0.444 ' HG1' ' ND2' ' A' ' 146' ' ' ASN . 33.6 m -114.6 -33.83 5.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.406 0.71 . . . . 0.0 110.328 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 6.4 ttp85 74.43 42.94 0.29 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.383 1.052 . . . . 0.0 110.329 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -150.41 120.7 7.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.522 ' C ' ' CD1' ' A' ' 153' ' ' PHE . 10.2 ttt -128.49 142.82 50.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 111.038 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.522 ' CD1' ' C ' ' A' ' 152' ' ' MET . 0.2 OUTLIER -134.47 169.27 17.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 111.042 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.41 ' HG3' ' CE1' ' A' ' 143' ' ' PHE . 1.3 tmt_? -148.56 115.85 6.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.351 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 51.87 62.25 2.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 54.25 61.23 3.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . 0.407 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -152.29 102.6 2.77 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.506 1.129 . . . . 0.0 110.375 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 125.34 9.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 6.9 ptm -145.9 130.16 8.72 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 110.948 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -179.74 5.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.538 1.809 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 3.3 mp -135.49 118.98 16.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' THR . . . . . 0.41 ' O ' ' N ' ' A' ' 165' ' ' GLU . 19.5 m -53.55 142.62 22.03 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.123 . . . . 0.0 110.409 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.5 p -44.67 -30.28 0.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 110.013 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -74.1 -41.64 38.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 111.042 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 162' ' ' THR . 31.7 mt-10 -62.04 -70.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 0.744 . . . . 0.0 110.314 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.549 ' CE2' ' HA ' ' A' ' 147' ' ' LEU . 4.1 t80 -40.88 -46.0 2.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.933 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . 0.451 ' HB2' ' CB ' ' A' ' 189' ' ' ALA . . . -58.68 -61.73 2.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.508 ' CG1' ' CD1' ' A' ' 208' ' ' LEU . 41.6 t -55.06 -55.68 14.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 5.1 tt -49.35 -50.64 39.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 174' ' ' SER . 14.8 tmtt? -53.83 -41.86 67.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 109.274 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 185' ' ' LEU . . . -65.27 -30.02 70.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.465 ' CD2' ' C ' ' A' ' 231' ' ' VAL . 1.4 mt -80.28 -50.11 10.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 1.1 p -78.11 -0.15 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.218 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 174' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 170' ' ' LYS . 0.5 OUTLIER -73.44 -24.9 60.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -146.89 95.7 4.44 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.565 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . 0.456 ' O ' ' CB ' ' A' ' 177' ' ' ARG . 18.2 Cg_endo -75.01 138.06 22.5 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.47 1.774 . . . . 0.0 111.043 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.456 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 4.7 ttm180 80.87 -55.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -70.71 115.18 33.02 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.62 1.2 . . . . 0.0 110.259 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 179' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 155.01 42.52 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.552 1.817 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 49.3 mt -132.71 161.96 32.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 181' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 184' ' ' LYS . 28.2 p -84.13 150.09 25.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -47.65 -34.66 8.34 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . 0.43 ' O ' ' ND2' ' A' ' 187' ' ' ASN . 91.9 m-20 -70.04 -36.15 74.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.426 1.079 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 181' ' ' SER . 0.0 OUTLIER -79.82 -8.76 59.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . 0.425 ' O ' ' CB ' ' A' ' 171' ' ' ALA . 0.1 OUTLIER -78.34 -61.97 1.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -30.95 69.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 183' ' ' ASP . 52.8 m-20 -63.25 -54.76 32.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 11.5 mt -53.42 -20.76 5.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.368 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . 0.451 ' CB ' ' HB2' ' A' ' 167' ' ' ALA . . . -103.09 40.65 1.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -79.97 55.72 2.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.263 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -86.32 168.36 40.35 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.569 1.168 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.9 -44.01 14.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 0.734 . . . . 0.0 110.29 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.61 141.23 58.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.377 1.048 . . . . 0.0 110.253 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 194' ' ' TYR . . . . . 0.505 ' CZ ' ' CB ' ' A' ' 197' ' ' MET . 0.2 OUTLIER -38.96 -63.4 0.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 111.1 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 47.4 t 39.61 46.73 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 110.055 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -148.82 -60.99 0.23 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 197' ' ' MET . . . . . 0.505 ' CB ' ' CZ ' ' A' ' 194' ' ' TYR . 0.0 OUTLIER -88.94 37.1 0.83 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -135.19 81.64 1.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 68.92 99.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.64 145.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.469 HD12 ' CG2' ' A' ' 168' ' ' VAL . 0.3 OUTLIER -42.49 -49.79 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -49.29 -55.45 12.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.368 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 85.3 t -61.45 -51.6 70.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.308 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 204' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -49.55 -51.6 35.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . . . . . . . . . 4.6 mm -48.46 -48.78 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 2.1 t -56.55 -37.67 70.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.17 -19.62 46.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . 0.508 ' CD1' ' CG1' ' A' ' 168' ' ' VAL . 5.7 mt -80.47 -53.47 6.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.586 1.179 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 209' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.07 -37.25 76.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.372 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -34.68 76.45 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.448 1.093 . . . . 0.0 110.351 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 211' ' ' MET . . . . . 0.403 ' CE ' ' OE1' ' A' ' 165' ' ' GLU . 11.3 mtp -70.63 -53.46 15.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 212' ' ' VAL . . . . . 0.597 ' O ' ' CE1' ' A' ' 143' ' ' PHE . 25.7 m -72.05 -49.54 43.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -105.58 89.43 3.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.543 1.152 . . . . 0.0 110.253 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -76.57 58.48 1.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.599 1.187 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -134.95 96.15 14.74 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 56.28 4.23 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.484 1.781 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -148.5 -52.22 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.371 1.045 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 218' ' ' HIS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 219' ' ' PRO . 14.9 p-80 -162.4 131.25 3.01 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.668 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 219' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 218' ' ' HIS . 18.1 Cg_endo -74.99 -159.65 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.492 1.785 . . . . 0.0 110.952 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -167.22 -55.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.252 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.533 ' HB3' ' CZ ' ' A' ' 232' ' ' PHE . 96.2 m-85 -89.53 21.45 3.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 222' ' ' ILE . . . . . . . . . . . . . 8.6 mm -142.53 110.1 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.404 1.065 . . . . 0.0 109.266 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -120.73 121.51 38.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 110.249 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 13.3 t -100.8 166.94 10.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 225' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 229' ' ' GLY . 0.0 OUTLIER -160.44 108.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.232 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -53.4 -46.32 69.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.004 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -54.35 -22.16 22.09 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.534 1.147 . . . . 0.0 110.988 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -121.35 -88.78 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 0.782 . . . . 0.0 109.319 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 229' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . -175.94 -87.23 0.07 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.121 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 230' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -152.47 121.08 6.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 111.0 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . 0.465 ' C ' ' CD2' ' A' ' 172' ' ' LEU . 7.2 p -119.53 168.83 11.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.533 ' CZ ' ' HB3' ' A' ' 221' ' ' TYR . 5.0 t80 -120.38 97.56 5.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 60.1 t -110.86 112.25 56.01 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 162.59 36.82 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.559 1.821 . . . . 0.0 110.981 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.83 167.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -112.34 106.64 1.93 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.43 1.081 . . . . 0.0 111.063 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 51.1 m 65.84 95.58 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.963 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.1 99.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.078 . . . . 0.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.972 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.505 ' HB ' ' CB ' ' A' ' 146' ' ' ASN . 0.8 OUTLIER -110.03 169.15 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.613 1.196 . . . . 0.0 109.252 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.419 ' O ' ' N ' ' A' ' 145' ' ' LEU . 28.9 mm -123.17 104.11 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.48 ' CB ' ' HA ' ' A' ' 144' ' ' LYS . . . -120.0 151.65 38.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.445 ' O ' ' C ' ' A' ' 141' ' ' GLY . 3.5 m-85 -125.58 -178.13 4.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -32.91 -87.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.449 1.093 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.568 ' C ' ' CD1' ' A' ' 143' ' ' PHE . 0.3 OUTLIER -98.14 43.73 1.06 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.445 0.732 . . . . 0.0 109.344 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.61 ' CD1' ' N ' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -148.73 166.36 28.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.48 ' HA ' ' CB ' ' A' ' 139' ' ' ALA . 0.1 OUTLIER -160.4 108.91 1.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 109.357 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.441 ' CD1' ' N ' ' A' ' 146' ' ' ASN . 0.1 OUTLIER -120.47 162.04 20.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 0.0 109.253 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.505 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 56.8 t-20 -155.85 118.41 4.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.574 HD22 ' CE1' ' A' ' 166' ' ' PHE . 5.5 mp -82.34 -22.97 35.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -80.38 9.62 47.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' THR . . . . . 0.493 ' O ' ' CB ' ' A' ' 150' ' ' ARG . 0.7 OUTLIER -144.97 -37.82 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 0.787 . . . . 0.0 110.275 -179.898 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 149' ' ' THR . 1.2 mtt180 83.14 43.87 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 153' ' ' PHE . 6.4 mt-10 -137.48 115.18 11.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 159' ' ' MET . 0.2 OUTLIER -119.3 145.24 46.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 110.982 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -150.3 149.9 30.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.563 ' HG3' ' CD2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -145.77 123.17 11.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.089 . . . . 0.0 110.32 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.409 ' C ' ' N ' ' A' ' 157' ' ' GLU . 3.0 tt0 72.18 58.88 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 5.5 t0 45.7 25.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 155' ' ' GLU . 0.2 OUTLIER -125.73 137.96 31.03 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.12 43.05 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.437 1.756 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 152' ' ' MET . 7.5 tpp -160.23 108.97 1.39 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 178.79 6.81 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.385 1.729 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -159.74 123.74 3.77 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.62 1.2 . . . . 0.0 109.237 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' THR . . . . . 0.4 ' OG1' ' N ' ' A' ' 163' ' ' SER . 4.2 t -64.77 176.08 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.36 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' SER . . . . . 0.4 ' N ' ' OG1' ' A' ' 162' ' ' THR . 19.3 m -66.15 -29.43 69.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.589 1.18 . . . . 0.0 110.051 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -62.79 -53.79 38.37 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.525 1.14 . . . . 0.0 110.958 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -55.58 -64.41 0.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.626 0.839 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.574 ' CE1' HD22 ' A' ' 147' ' ' LEU . 3.0 t80 -46.17 -41.76 13.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -55.55 -64.13 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.461 HG12 ' CD1' ' A' ' 201' ' ' ILE . 89.8 t -61.1 -53.91 42.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 1.3 tt -47.95 -59.14 3.57 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.405 1.066 . . . . 0.0 109.247 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . 0.458 ' CB ' ' CD2' ' A' ' 147' ' ' LEU . 0.0 OUTLIER -49.46 -44.03 45.48 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.582 1.177 . . . . 0.0 109.291 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -63.78 -30.56 71.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.393 1.058 . . . . 0.0 109.351 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.458 HD12 ' CD1' ' A' ' 205' ' ' ILE . 0.3 OUTLIER -79.03 -49.98 11.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . 0.453 ' CG1' ' HA ' ' A' ' 170' ' ' LYS . 7.5 p -71.9 -6.53 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.605 1.19 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 41.4 t -61.97 -44.62 96.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.604 1.19 . . . . 0.0 110.004 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -123.72 88.77 51.87 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.604 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . 0.422 ' O ' ' CB ' ' A' ' 177' ' ' ARG . 18.3 Cg_endo -75.03 64.96 6.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.463 1.77 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.422 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 0.0 OUTLIER 163.73 -53.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -76.26 130.29 77.98 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.075 . . . . 0.0 110.372 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 179' ' ' PRO . . . . . 0.47 ' CG ' HD13 ' A' ' 228' ' ' LEU . 18.4 Cg_endo -75.05 165.21 31.72 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -137.76 172.1 13.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.565 1.166 . . . . 0.0 109.25 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 39.8 p -108.69 141.96 39.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.03 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -41.75 -32.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 110.253 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -76.67 -56.67 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.409 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -53.67 -28.29 32.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.358 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 201' ' ' ILE . 1.3 mp -63.23 -65.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.279 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 16.8 ptm -59.35 -25.75 64.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.981 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -63.69 -51.7 63.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.388 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.2 -48.64 72.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -48.74 -47.48 41.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.599 1.187 . . . . 0.0 109.296 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -66.65 77.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.255 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -95.72 -97.35 1.77 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.615 1.197 . . . . 0.0 111.069 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -68.67 -53.89 19.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 0.0 110.264 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -108.96 176.55 5.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.39 1.056 . . . . 0.0 110.33 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 194' ' ' TYR . . . . . 0.599 ' C ' ' CD1' ' A' ' 194' ' ' TYR . 0.0 OUTLIER -86.34 42.01 0.97 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 110.995 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.97 -53.16 35.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.097 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -46.18 -34.03 4.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 1.076 . . . . 0.0 109.244 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.7 45.58 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 110.986 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -94.68 -53.69 3.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.6 -76.34 0.19 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.475 1.109 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.0 148.94 0.54 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.514 1.134 . . . . 0.0 109.947 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.5 HG23 ' CE2' ' A' ' 230' ' ' TYR . 3.8 mm -63.75 -65.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.88 -28.91 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 203' ' ' VAL . . . . . 0.436 ' N ' ' C ' ' A' ' 201' ' ' ILE . 25.3 t -80.22 -52.93 13.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 204' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -60.42 -45.37 93.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.542 HG13 ' CE1' ' A' ' 230' ' ' TYR . 19.0 mm -46.51 -56.47 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 206' ' ' SER . . . . . 0.455 ' O ' ' CB ' ' A' ' 210' ' ' ARG . 40.0 t -51.45 -36.35 43.63 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.404 1.065 . . . . 0.0 110.056 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 207' ' ' ARG . . . . . 0.412 ' NH1' ' NH1' ' A' ' 210' ' ' ARG . 14.2 mmt180 -75.63 -26.39 57.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.388 1.055 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 62.5 mt -79.01 -47.36 16.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 209' ' ' ARG . . . . . 0.454 ' HB3' ' CG2' ' A' ' 222' ' ' ILE . 0.0 OUTLIER -71.49 -33.46 69.28 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 210' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 206' ' ' SER . 1.4 tmt_? -71.55 -27.09 62.92 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.535 1.147 . . . . 0.0 110.235 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -59.78 2.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 212' ' ' VAL . . . . . . . . . . . . . 25.4 m -77.15 -45.08 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -108.23 91.45 3.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 0.0 110.345 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -38.79 -73.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.172 . . . . 0.0 110.283 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.5 124.19 90.41 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 216' ' ' PRO . . . . . 0.421 ' HB3' ' NE ' ' A' ' 209' ' ' ARG . 18.5 Cg_endo -74.95 -20.16 17.26 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.527 1.804 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -70.14 -19.82 63.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -130.72 77.29 75.89 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.612 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -159.82 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.447 1.762 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -173.66 -73.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.39 1.057 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.545 ' O ' ' CD1' ' A' ' 232' ' ' PHE . 90.3 m-85 -89.86 21.9 3.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 222' ' ' ILE . . . . . 0.454 ' CG2' ' HB3' ' A' ' 209' ' ' ARG . 15.9 mm -144.58 113.73 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 3.3 mm100 -120.38 90.12 3.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 94.9 m -65.87 113.29 4.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.355 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 225' ' ' VAL . . . . . 0.482 ' O ' ' N ' ' A' ' 229' ' ' GLY . 17.3 t -113.49 109.55 28.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.401 1.063 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -60.31 -49.04 79.19 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -53.26 -37.44 54.95 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . 0.47 HD13 ' CG ' ' A' ' 179' ' ' PRO . 2.9 mt -103.68 -88.23 0.42 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.46 0.741 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 229' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . -178.53 -78.78 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.085 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 230' ' ' TYR . . . . . 0.542 ' CE1' HG13 ' A' ' 205' ' ' ILE . 88.7 m-85 -160.15 123.48 3.52 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.5 0.765 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 14.6 p -119.61 156.55 22.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.545 ' CD1' ' O ' ' A' ' 221' ' ' TYR . 15.1 t80 -120.87 98.48 6.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.09 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 16.3 t -103.85 106.28 52.01 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 234' ' ' PRO . . . . . 0.464 ' HA ' ' CD2' ' A' ' 221' ' ' TYR . 17.9 Cg_endo -75.08 179.92 5.64 Favored 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.564 1.823 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -61.1 142.71 56.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -179.76 -69.51 0.07 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.381 1.051 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.3 149.09 47.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 110.001 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -141.85 162.65 34.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.218 179.952 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.508 ' CG2' ' N ' ' A' ' 138' ' ' ILE . 1.2 m 49.59 -176.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.584 1.177 . . . . 0.0 109.339 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.508 ' N ' ' CG2' ' A' ' 137' ' ' VAL . 8.7 mm -140.01 114.38 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.575 1.172 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.49 ' CB ' ' HA ' ' A' ' 144' ' ' LYS . . . -135.53 156.53 48.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.836 ' CZ ' ' CD1' ' A' ' 143' ' ' PHE . 12.2 p90 -159.24 118.17 2.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 111.096 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 74.11 -93.31 0.77 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.046 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -125.48 1.76 7.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.836 ' CD1' ' CZ ' ' A' ' 140' ' ' PHE . 2.4 t80 -101.14 131.49 47.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.073 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.49 ' HA ' ' CB ' ' A' ' 139' ' ' ALA . 9.1 ptpt -131.32 140.55 49.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 109.232 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.442 ' CD1' ' SD ' ' A' ' 152' ' ' MET . 0.2 OUTLIER -144.35 141.46 29.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 150' ' ' ARG . 49.4 t-20 -144.01 114.46 7.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.547 ' N ' ' CD1' ' A' ' 147' ' ' LEU . 0.5 OUTLIER -72.8 -47.63 44.89 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -51.34 -26.68 14.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 110.941 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' THR . . . . . 0.422 ' HB ' ' ND2' ' A' ' 146' ' ' ASN . 35.2 m -110.44 -14.11 14.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.399 0.705 . . . . 0.0 110.4 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 146' ' ' ASN . 29.5 ttp180 54.03 49.69 18.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 0.0 110.25 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -149.13 120.31 7.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.0 110.269 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.588 ' CE ' ' CE2' ' A' ' 143' ' ' PHE . 16.1 ptm -136.44 140.58 43.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.57 ' CD1' ' C ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -135.9 173.45 11.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.392 1.058 . . . . 0.0 110.969 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -154.52 102.78 2.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.072 . . . . 0.0 110.289 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 59.35 69.12 0.74 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 53.23 63.43 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -153.98 79.34 5.19 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.585 1.178 . . . . 0.0 110.301 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 126.97 10.27 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.554 1.818 . . . . 0.0 110.961 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' MET . . . . . 0.415 ' HG3' ' O ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -154.39 135.88 9.06 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.5 1.125 . . . . 0.0 110.926 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 -165.95 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.41 1.742 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 12.1 mt -140.78 152.92 45.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 24.6 m -79.71 166.5 21.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 2.2 m -59.71 -58.05 10.27 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -66.03 -30.53 77.15 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.565 1.166 . . . . 0.0 110.974 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . 0.466 ' CG ' HD23 ' A' ' 208' ' ' LEU . 96.0 mt-10 -67.79 -73.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 110.335 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . 0.575 ' C ' ' CD1' ' A' ' 166' ' ' PHE . 0.3 OUTLIER -39.65 -35.02 0.28 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.617 1.198 . . . . 0.0 110.993 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -70.57 -58.82 3.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.457 HG12 ' CG2' ' A' ' 201' ' ' ILE . 9.5 t -54.28 -39.55 44.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . 0.407 ' CD2' HD13 ' A' ' 145' ' ' LEU . 0.7 OUTLIER -69.91 -22.34 63.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 174' ' ' SER . 10.9 tmtt? -77.1 -52.5 9.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.409 1.068 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -58.83 -32.48 69.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.95 -52.1 12.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -70.9 -7.87 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.252 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 174' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 170' ' ' LYS . 35.4 t -73.06 -14.63 61.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.96 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -152.74 80.12 5.68 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 109.613 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 58.24 4.84 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.458 1.768 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 15.4 ttt85 176.88 -41.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.614 1.196 . . . . 0.0 110.259 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -93.27 137.4 23.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.348 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 179' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 159.98 40.67 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.525 1.803 . . . . 0.0 110.971 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -136.89 139.3 41.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 181' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 184' ' ' LYS . 0.3 OUTLIER -79.37 140.11 37.56 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.512 1.133 . . . . 0.0 109.949 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -40.18 -38.83 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.399 1.062 . . . . 0.0 110.21 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.59 -49.79 61.44 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.58 1.175 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 181' ' ' SER . 5.2 mmtp -48.97 -41.03 32.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.354 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.33 -63.3 1.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 6.8 ptp -67.23 -9.85 44.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -79.24 -37.81 37.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -79.51 -41.32 27.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 109.348 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -56.1 -62.15 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 40.98 85.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.611 1.195 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -134.85 153.28 21.03 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.566 1.166 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 4.6 ttm105 -109.21 60.87 0.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 0.796 . . . . 0.0 110.256 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -176.32 57.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 194' ' ' TYR . . . . . . . . . . . . . 16.9 t80 41.42 62.33 1.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 46.6 t -121.55 -43.79 2.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.988 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -86.27 48.49 1.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.354 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 1.2 ttt -171.55 -56.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 38.96 35.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 71.78 59.71 0.15 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 110.252 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.29 149.39 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.409 1.068 . . . . 0.0 109.993 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.457 ' CG2' HG12 ' A' ' 168' ' ' VAL . 6.0 mt -85.0 -47.41 17.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 202' ' ' ASP . . . . . 0.501 ' CA ' ' OH ' ' A' ' 230' ' ' TYR . 0.8 OUTLIER -47.27 -28.84 2.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.221 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 90.7 t -80.11 -56.03 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 0.0 109.378 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 204' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 207' ' ' ARG . 3.9 tp60 -57.07 -50.05 73.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.216 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.562 HG13 ' CE2' ' A' ' 230' ' ' TYR . 14.5 mm -43.19 -52.07 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.302 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 7.6 t -53.61 -37.8 63.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.045 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 207' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 204' ' ' GLN . 2.4 mmp_? -77.43 -36.23 53.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.355 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . 0.466 HD23 ' CG ' ' A' ' 165' ' ' GLU . 25.4 mt -69.14 -27.56 65.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 209' ' ' ARG . . . . . 0.404 ' NE ' ' HG3' ' A' ' 219' ' ' PRO . 2.8 mtt180 -68.2 -53.44 24.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.076 . . . . 0.0 110.353 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.15 -18.58 65.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 3.3 mtp -80.2 -52.92 7.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 212' ' ' VAL . . . . . . . . . . . . . 34.1 m -71.45 -28.37 31.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -119.79 -147.16 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.163 . . . . 0.0 110.369 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 215' ' ' ASP . 0.0 OUTLIER -160.41 -44.35 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.372 1.045 . . . . 0.0 110.279 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 215' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 214' ' ' GLU . 0.5 OUTLIER -39.83 101.58 0.24 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 55.51 3.96 Favored 'Trans proline' 0 C--N 1.358 1.073 0 O-C-N 124.517 1.798 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -147.39 -49.48 0.18 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 13.3 t60 -171.5 141.62 1.31 Allowed Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.599 1.187 . . . . 0.0 109.593 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 219' ' ' PRO . . . . . 0.404 ' HG3' ' NE ' ' A' ' 209' ' ' ARG . 18.3 Cg_endo -74.94 -159.57 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.429 1.752 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -137.13 -55.91 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.57 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 55.0 m-85 -89.66 21.56 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 222' ' ' ILE . . . . . 0.474 HD11 ' CE2' ' A' ' 232' ' ' PHE . 16.2 mm -140.21 110.61 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.41 1.069 . . . . 0.0 109.321 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -119.92 101.2 7.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 98.9 m -79.76 121.27 25.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 110.492 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 225' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 229' ' ' GLY . 17.9 m -126.34 120.39 56.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -64.92 -43.97 91.05 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -48.26 -27.09 5.24 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.55 1.156 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.82 -81.7 0.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 0.79 . . . . 0.0 109.258 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 229' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 177.25 -77.94 0.07 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 230' ' ' TYR . . . . . 0.562 ' CE2' HG13 ' A' ' 205' ' ' ILE . 57.1 m-85 -156.3 124.57 5.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.744 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 2.7 p -119.52 153.29 22.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.565 1.166 . . . . 0.0 109.284 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.57 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 8.7 t80 -119.9 97.04 5.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 57.9 t -94.14 111.79 54.74 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 234' ' ' PRO . . . . . 0.467 ' HA ' ' CD2' ' A' ' 221' ' ' TYR . 18.5 Cg_endo -74.95 111.24 3.28 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 111.034 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 9.8 t0 58.79 158.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -45.46 150.87 1.11 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.112 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 16.7 p -179.17 -59.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 110.005 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.93 85.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.902 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . 0.431 ' O ' HG22 ' A' ' 137' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.484 ' HB ' ' CB ' ' A' ' 146' ' ' ASN . 0.8 OUTLIER 43.78 -168.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.359 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ILE . . . . . 0.573 HG22 ' CE1' ' A' ' 140' ' ' PHE . 5.3 mp -145.72 107.85 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ALA . . . . . 0.585 ' C ' ' CD1' ' A' ' 140' ' ' PHE . . . -125.05 165.81 17.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 109.366 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' PHE . . . . . 0.619 ' N ' ' CD1' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -144.59 79.53 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.986 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 60.08 -79.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.492 1.12 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 140' ' ' PHE . 0.4 OUTLIER -85.83 -42.81 13.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 0.744 . . . . 0.0 109.35 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 85.4 m-85 -69.17 162.68 26.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 111.009 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' LYS . . . . . 0.57 ' HB3' ' CE2' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -162.23 102.86 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' ' 138' ' ' ILE . 0.8 OUTLIER -119.7 156.85 29.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ASN . . . . . 0.484 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 46.9 t-20 -156.54 119.7 4.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 170' ' ' LYS . 3.4 mt -79.5 -24.63 42.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -72.12 -30.13 65.71 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.391 1.057 . . . . 0.0 111.006 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 2.3 m -110.04 -11.31 14.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 110.443 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 52.72 50.67 17.6 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -144.92 116.91 8.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' MET . . . . . 0.401 ' O ' ' O ' ' A' ' 159' ' ' MET . 5.7 ttt -119.73 144.96 46.96 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.582 1.177 . . . . 0.0 110.943 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 144' ' ' LYS . 0.9 OUTLIER -159.45 155.46 26.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' ARG . . . . . 0.55 ' O ' ' CB ' ' A' ' 155' ' ' GLU . 0.0 OUTLIER -120.07 98.98 6.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.599 1.187 . . . . 0.0 110.271 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.55 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 1.1 tt0 89.62 -24.24 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.539 1.149 . . . . 0.0 110.324 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 155' ' ' GLU . 0.6 OUTLIER 157.16 -32.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' GLU . . . . . 0.405 ' O ' ' CB ' ' A' ' 153' ' ' PHE . 1.6 mp0 -48.5 105.31 0.48 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.414 1.071 . . . . 0.0 110.323 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 118.36 5.25 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.525 1.803 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' MET . . . . . 0.401 ' O ' ' O ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -144.38 135.67 12.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.594 1.839 . . . . 0.0 110.952 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.76 122.97 4.93 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 88.8 m -39.16 146.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.432 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 13.2 m -50.84 -59.03 4.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.408 1.067 . . . . 0.0 109.973 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -46.38 -46.21 16.68 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.415 1.072 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -56.51 -47.6 78.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 0.797 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 166' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -59.67 -59.86 4.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.17 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -52.17 -59.16 4.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 168' ' ' VAL . . . . . 0.444 HG12 ' CD1' ' A' ' 208' ' ' LEU . 20.5 t -48.4 -55.51 3.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 124.506 1.129 . . . . 0.0 109.243 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 3.6 tt -54.36 -61.02 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 170' ' ' LYS . . . . . 0.504 ' O ' ' CB ' ' A' ' 174' ' ' SER . 0.5 OUTLIER -41.04 -39.97 1.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -60.57 -55.88 28.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.565 1.165 . . . . 0.0 109.251 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 172' ' ' LEU . . . . . 0.484 ' CD2' ' C ' ' A' ' 231' ' ' VAL . 0.4 OUTLIER -60.43 -41.26 93.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 173' ' ' VAL . . . . . 0.466 HG12 ' CD1' ' A' ' 138' ' ' ILE . 41.1 t -79.98 0.22 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 174' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 170' ' ' LYS . 3.2 m -102.4 -27.27 12.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.94 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -115.05 90.53 23.67 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.632 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 132.21 15.17 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.487 1.782 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 177' ' ' ARG . . . . . 0.439 ' NH1' ' CB ' ' A' ' 238' ' ' LYS . 1.3 mtt180 45.77 54.85 7.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.173 . . . . 0.0 110.242 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 178' ' ' GLU . . . . . 0.489 ' O ' ' CD1' ' A' ' 180' ' ' LEU . 6.7 tt0 -153.35 98.75 2.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 179' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 131.0 13.84 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.516 1.798 . . . . 0.0 111.07 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 180' ' ' LEU . . . . . 0.489 ' CD1' ' O ' ' A' ' 178' ' ' GLU . 1.2 mp -131.63 152.55 50.74 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 8.9 m -57.69 159.27 5.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.093 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -32.72 59.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 183' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 187' ' ' ASN . 0.1 OUTLIER -69.52 -60.1 2.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.223 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt -40.99 -36.45 0.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 185' ' ' LEU . . . . . 0.453 ' HB3' ' CD1' ' A' ' 201' ' ' ILE . 2.0 mp -58.91 -65.31 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 10.2 ptm -67.68 -15.06 63.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 111.051 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 187' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 183' ' ' ASP . 1.2 t30 -79.98 -61.81 1.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 56.7 tp -43.26 -47.94 6.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -53.71 -64.12 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 38.69 74.62 0.09 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 110.381 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -106.69 150.96 16.89 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.579 1.174 . . . . 0.0 110.961 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.31 83.03 6.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.582 0.813 . . . . 0.0 110.207 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 179.13 176.19 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 194' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -70.61 74.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 111.04 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 1.8 t -131.66 -60.42 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.028 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -51.95 -53.02 46.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.402 1.064 . . . . 0.0 109.275 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 16.5 ttm -38.95 -52.38 1.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 111.058 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -49.19 -54.9 14.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.213 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 46.79 95.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.229 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.19 43.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ILE . . . . . 0.574 HG22 ' CE2' ' A' ' 230' ' ' TYR . 1.9 mm -47.97 -45.6 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.385 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -47.27 -57.6 5.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 203' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 207' ' ' ARG . 60.1 t -64.05 -54.91 25.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.386 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 204' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 208' ' ' LEU . 1.7 mp0 -46.46 -36.47 6.65 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.535 1.147 . . . . 0.0 110.346 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 205' ' ' ILE . . . . . 0.45 HG23 ' CD1' ' A' ' 230' ' ' TYR . 4.9 mm -62.34 -63.75 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.248 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 206' ' ' SER . . . . . 0.456 ' HA ' ' CG ' ' A' ' 209' ' ' ARG . 19.4 t -60.88 -28.02 68.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.984 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 207' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 203' ' ' VAL . 16.8 tpp180 -78.74 -27.01 44.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 110.258 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 208' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 204' ' ' GLN . 12.3 mt -80.03 -55.72 4.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 209' ' ' ARG . . . . . 0.456 ' CG ' ' HA ' ' A' ' 206' ' ' SER . 0.0 OUTLIER -55.26 -29.36 57.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.33 -45.98 65.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.79 -51.43 69.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.08 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 212' ' ' VAL . . . . . 0.55 ' HB ' ' CZ ' ' A' ' 140' ' ' PHE . 29.0 m -74.83 -34.04 32.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.376 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 213' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 209' ' ' ARG . 58.0 mm-40 -141.49 90.72 2.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 214' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 216' ' ' PRO . 5.6 tp10 -48.94 -36.92 18.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.261 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 215' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 214' ' ' GLU . 0.2 OUTLIER -38.88 99.2 0.19 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 216' ' ' PRO . . . . . 0.419 ' HA ' ' NH1' ' A' ' 209' ' ' ARG . 18.4 Cg_endo -75.02 1.73 7.42 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.547 1.814 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -79.27 -68.87 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -159.73 121.68 1.84 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.633 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -159.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.438 1.757 . . . . 0.0 111.049 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -141.41 -45.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.239 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 221' ' ' TYR . . . . . 0.599 ' O ' ' CE1' ' A' ' 232' ' ' PHE . 24.3 m-85 -86.94 18.5 3.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.182 . . . . 0.0 111.003 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 222' ' ' ILE . . . . . 0.426 HD13 ' CA ' ' A' ' 209' ' ' ARG . 1.7 mt -152.17 117.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.572 1.17 . . . . 0.0 109.368 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -119.83 102.14 8.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 224' ' ' THR . . . . . 0.523 HG23 ' CE1' ' A' ' 230' ' ' TYR . 31.4 m -83.12 122.97 29.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 110.411 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 225' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 229' ' ' GLY . 0.0 OUTLIER -129.78 106.82 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.075 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -37.51 73.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 108.018 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -56.68 -23.87 45.71 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.23 -79.94 0.62 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 0.788 . . . . 0.0 109.296 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 229' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 178.59 -86.01 0.07 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.426 1.079 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 230' ' ' TYR . . . . . 0.574 ' CE2' HG22 ' A' ' 201' ' ' ILE . 79.0 m-85 -160.07 124.02 3.68 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 0.755 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 231' ' ' VAL . . . . . 0.484 ' C ' ' CD2' ' A' ' 172' ' ' LEU . 9.9 p -119.52 170.55 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 232' ' ' PHE . . . . . 0.599 ' CE1' ' O ' ' A' ' 221' ' ' TYR . 14.1 t80 -131.37 104.12 6.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 83.1 t -115.27 90.09 23.27 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 234' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 236' ' ' GLY . 18.4 Cg_endo -74.9 125.37 9.33 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.63 -64.86 0.33 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.612 1.195 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 236' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 234' ' ' PRO . . . 164.35 -61.67 0.25 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 77.53 -69.48 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 110.039 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 238' ' ' LYS . . . . . 0.439 ' CB ' ' NH1' ' A' ' 177' ' ' ARG . 5.5 mmtt -90.9 145.32 24.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.413 1.071 . . . . 0.0 109.333 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.483 HG12 ' OD1' ' A' ' 146' ' ' ASN . 2.1 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.49 HG22 ' CE1' ' A' ' 140' ' ' PHE . 5.3 mp -131.34 107.75 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.404 1.065 . . . . 0.0 109.318 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.44 149.67 41.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.573 ' CD1' ' HB2' ' A' ' 143' ' ' PHE . 3.4 m-85 -120.7 -179.78 4.1 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -53.04 -28.02 31.92 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -134.71 -47.56 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 0.759 . . . . 0.0 109.354 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.573 ' HB2' ' CD1' ' A' ' 140' ' ' PHE . 10.9 m-85 -69.8 154.61 41.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.482 ' HB2' ' CD2' ' A' ' 153' ' ' PHE . 17.5 mttt -142.69 131.72 23.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.629 HD11 HD22 ' A' ' 169' ' ' LEU . 1.8 tt -142.56 151.85 41.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.483 ' OD1' HG12 ' A' ' 137' ' ' VAL . 22.6 t-20 -160.04 119.85 2.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 1.049 HD22 ' CE1' ' A' ' 166' ' ' PHE . 63.7 mt -78.25 -43.85 27.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 146' ' ' ASN . . . -51.81 -30.13 28.13 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' THR . . . . . 0.426 ' CB ' ' ND2' ' A' ' 146' ' ' ASN . 36.1 m -115.16 -7.2 12.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 0.741 . . . . 0.0 110.421 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 146' ' ' ASN . 0.0 OUTLIER 47.08 53.02 11.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 0.0 110.328 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -139.34 114.84 9.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.417 1.073 . . . . 0.0 110.338 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.42 ' HB3' ' CD1' ' A' ' 161' ' ' LEU . 12.0 ttt -119.71 142.23 48.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.482 ' CD2' ' HB2' ' A' ' 144' ' ' LYS . 0.4 OUTLIER -157.59 157.39 33.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.42 1.075 . . . . 0.0 111.054 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 154' ' ' ARG . . . . . 0.538 ' HG3' ' CD1' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -123.87 99.69 6.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 155' ' ' GLU . . . . . 0.524 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 0.6 OUTLIER 88.93 -23.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 155' ' ' GLU . 1.8 t0 156.71 -31.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 157' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 153' ' ' PHE . 0.6 OUTLIER -49.55 106.0 0.58 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 122.79 7.41 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.519 1.799 . . . . 0.0 111.061 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.22 122.45 25.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 139.49 24.49 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.544 1.812 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.42 ' CD1' ' HB3' ' A' ' 152' ' ' MET . 10.7 mt -119.94 95.14 4.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 3.5 t -54.07 164.93 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.45 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 167' ' ' ALA . 3.9 m -50.12 -54.03 23.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.651 1.219 . . . . 0.0 109.977 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.511 ' O ' HG23 ' A' ' 168' ' ' VAL . . . -51.61 -55.96 17.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.568 1.168 . . . . 0.0 110.955 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -58.35 -65.99 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 0.712 . . . . 0.0 110.232 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 1.049 ' CE1' HD22 ' A' ' 147' ' ' LEU . 0.2 OUTLIER -47.96 -51.43 23.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 163' ' ' SER . . . -55.68 -46.08 77.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.542 ' O ' ' HB3' ' A' ' 171' ' ' ALA . 3.2 t -56.56 -62.85 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.629 HD22 HD11 ' A' ' 145' ' ' LEU . 0.5 OUTLIER -54.18 -55.18 30.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 170' ' ' LYS . . . . . 0.808 ' HG3' HD13 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -41.14 -44.62 2.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 168' ' ' VAL . . . -53.36 -49.0 68.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.47 HD22 ' HB2' ' A' ' 232' ' ' PHE . 0.8 OUTLIER -65.48 -38.06 88.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 22.4 t -76.91 -6.73 9.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 109.217 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 174' ' ' SER . . . . . 0.457 ' CB ' ' HZ1' ' A' ' 170' ' ' LYS . 0.3 OUTLIER -88.52 -25.56 22.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.995 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -138.85 91.47 11.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.649 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 127.72 10.88 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.556 1.819 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 73.81 31.34 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.424 ' C ' HG23 ' A' ' 231' ' ' VAL . 0.1 OUTLIER -122.39 99.93 42.33 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.181 . . . . 0.0 110.277 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 179' ' ' PRO . . . . . 0.584 ' HB2' HD12 ' A' ' 228' ' ' LEU . 18.5 Cg_endo -74.88 120.0 5.92 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.49 1.784 . . . . 0.0 111.07 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.3 mt -127.52 148.51 50.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 181' ' ' SER . . . . . 0.747 ' O ' HD23 ' A' ' 185' ' ' LEU . 0.2 OUTLIER -61.26 163.62 6.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.042 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -27.38 68.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.02 -53.64 16.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.31 -25.93 64.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.747 HD23 ' O ' ' A' ' 181' ' ' SER . 2.5 mm? -58.44 -69.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 4.4 ptm -64.79 -28.64 69.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -58.15 -59.82 4.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.243 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.933 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 200' ' ' SER . . . . . 0.501 ' OG ' ' CG1' ' A' ' 203' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.567 ' CG2' ' CE2' ' A' ' 230' ' ' TYR . 0.3 OUTLIER -135.47 -46.62 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.36 -40.67 96.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 203' ' ' VAL . . . . . 0.501 ' CG1' ' OG ' ' A' ' 200' ' ' SER . 6.3 p -80.33 -33.41 14.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 204' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.74 -52.58 16.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.564 HG13 ' CE1' ' A' ' 230' ' ' TYR . 5.7 mm -53.33 -57.41 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 4.0 p -43.37 -48.73 7.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.453 1.096 . . . . 0.0 110.06 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -66.46 -32.33 73.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.343 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 208' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 205' ' ' ILE . 13.6 mt -73.51 -36.06 65.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 209' ' ' ARG . . . . . 0.723 ' HG3' HG21 ' A' ' 222' ' ' ILE . 5.2 mtp-105 -68.44 -22.07 64.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -77.71 -58.68 3.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 211' ' ' MET . . . . . 0.664 ' HG3' HG13 ' A' ' 212' ' ' VAL . 8.5 ptp -49.48 -40.8 38.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 212' ' ' VAL . . . . . 0.664 HG13 ' HG3' ' A' ' 211' ' ' MET . 12.4 m -79.1 -36.09 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.596 1.185 . . . . 0.0 109.218 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.49 ' HG2' HG23 ' A' ' 212' ' ' VAL . 5.2 mm-40 -131.54 103.5 6.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.26 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.254 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 219' ' ' PRO . . . . . 0.489 ' HA ' ' CG ' ' A' ' 213' ' ' GLU . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.862 0 N-CA-C 111.03 -0.411 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 220' ' ' ARG . . . . . 0.46 ' HD3' ' CE1' ' A' ' 221' ' ' TYR . 22.3 ttt85 -155.69 -51.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.576 1.173 . . . . 0.0 110.2 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.46 ' CE1' ' HD3' ' A' ' 220' ' ' ARG . 78.0 m-85 -101.73 19.37 18.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.083 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 222' ' ' ILE . . . . . 0.723 HG21 ' HG3' ' A' ' 209' ' ' ARG . 27.2 mm -143.65 112.93 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 223' ' ' GLN . . . . . 0.821 ' O ' HG12 ' A' ' 231' ' ' VAL . 5.0 mt-30 -119.89 89.5 3.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 10.3 m -73.21 123.12 23.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.439 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 225' ' ' VAL . . . . . 0.643 HG12 ' H ' ' A' ' 228' ' ' LEU . 40.9 t -117.72 119.53 61.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.236 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 24.2 m95 -62.59 -47.71 82.6 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -56.67 -48.0 80.73 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.595 1.185 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 228' ' ' LEU . . . . . 0.643 ' H ' HG12 ' A' ' 225' ' ' VAL . 2.7 mm? -87.07 -81.58 0.23 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.556 0.797 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 229' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 169.83 -80.55 0.09 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.417 1.073 . . . . 0.0 110.94 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 230' ' ' TYR . . . . . 0.689 ' HB2' HD21 ' A' ' 185' ' ' LEU . 98.0 m-85 -152.08 118.73 5.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 0.809 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 231' ' ' VAL . . . . . 0.821 HG12 ' O ' ' A' ' 223' ' ' GLN . 4.8 p -119.84 151.7 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.47 ' HB2' HD22 ' A' ' 172' ' ' LEU . 32.0 t80 -120.11 98.37 6.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 53.1 t -109.51 103.06 51.94 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.544 1.813 . . . . 0.0 111.006 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.617 HG23 ' N ' ' A' ' 138' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.623 ' HB ' HD22 ' A' ' 145' ' ' LEU . 4.4 mp -142.73 115.94 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.666 ' HB2' ' HG2' ' A' ' 144' ' ' LYS . . . -124.66 157.22 36.09 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.544 ' CD2' ' HB3' ' A' ' 143' ' ' PHE . 3.4 m-85 -122.74 -179.22 4.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -36.26 -64.96 0.54 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.573 1.171 . . . . 0.0 111.043 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.14 38.33 3.99 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.4 0.706 . . . . 0.0 109.248 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 154' ' ' ARG . 1.8 t80 -139.63 166.26 25.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.666 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 0.1 OUTLIER -157.96 120.25 3.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.623 HD22 ' HB ' ' A' ' 138' ' ' ILE . 0.7 OUTLIER -133.32 156.05 48.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.616 1.197 . . . . 0.0 109.302 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.497 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 0.7 OUTLIER -157.9 115.55 3.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.376 1.047 . . . . 0.0 109.312 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.587 HD13 ' CG ' ' A' ' 170' ' ' LYS . 10.0 mt -78.51 -38.19 41.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.435 1.084 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -61.68 -20.02 58.96 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.623 1.202 . . . . 0.0 111.043 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 18.0 m -114.03 -30.27 6.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.431 0.724 . . . . 0.0 110.404 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.448 ' HG3' ' CD2' ' A' ' 166' ' ' PHE . 19.5 ttm180 71.47 43.24 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -147.13 114.46 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.738 ' SD ' HD11 ' A' ' 161' ' ' LEU . 5.0 ptm -129.21 152.64 48.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.572 1.17 . . . . 0.0 110.963 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.507 ' CD1' ' C ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -139.69 176.39 8.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.158 . . . . 0.0 110.966 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 154' ' ' ARG . . . . . 0.565 ' HB2' ' CE2' ' A' ' 143' ' ' PHE . 13.4 ttt85 -160.06 120.01 2.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.228 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 47.71 56.3 7.31 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.442 1.088 . . . . 0.0 110.285 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.3 49.06 7.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.27 89.02 4.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 0.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.493 ' HB3' ' CD1' ' A' ' 153' ' ' PHE . 18.2 Cg_endo -75.03 150.43 38.01 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.32 136.44 8.11 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.637 1.211 . . . . 0.0 110.986 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 170.76 19.67 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.477 1.777 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.738 HD11 ' SD ' ' A' ' 152' ' ' MET . 25.8 mt -127.46 129.7 47.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.364 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 3.0 p -77.76 168.49 19.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.405 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 167' ' ' ALA . 1.4 p -55.6 -56.59 18.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.946 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -51.87 -53.29 30.58 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.844 ' HG2' HD21 ' A' ' 208' ' ' LEU . 43.0 mt-10 -62.78 -71.33 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.408 0.711 . . . . 0.0 110.319 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.56 ' CZ ' ' HE2' ' A' ' 170' ' ' LYS . 30.5 t80 -41.13 -45.08 2.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 163' ' ' SER . . . -64.73 -58.59 5.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.123 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 2.6 t -49.69 -48.25 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.571 ' CD2' HD11 ' A' ' 145' ' ' LEU . 0.4 OUTLIER -64.71 -33.84 76.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 170' ' ' LYS . . . . . 0.587 ' CG ' HD13 ' A' ' 147' ' ' LEU . 5.5 mttm -60.75 -39.76 89.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -70.31 -44.27 68.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.575 1.172 . . . . 0.0 109.239 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.406 ' CD2' ' HB2' ' A' ' 232' ' ' PHE . 1.0 OUTLIER -64.58 -44.67 89.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.127 . . . . 0.0 109.244 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.564 HG11 HD13 ' A' ' 138' ' ' ILE . 80.1 t -73.85 -30.45 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 174' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 170' ' ' LYS . 2.1 m -55.41 -36.98 67.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.89 90.55 50.56 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.603 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 120.51 6.1 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.44 1.758 . . . . 0.0 110.959 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 72.67 50.13 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 179' ' ' PRO . 0.9 OUTLIER -159.44 131.21 4.09 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 179' ' ' PRO . . . . . 0.69 ' HB2' HD12 ' A' ' 228' ' ' LEU . 18.4 Cg_endo -75.06 164.25 33.62 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.563 1.823 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.729 HD21 HD13 ' A' ' 188' ' ' LEU . 0.4 OUTLIER -162.31 112.44 1.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.85 142.65 8.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.088 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 182' ' ' ARG . . . . . 0.44 ' HG2' ' CD1' ' A' ' 201' ' ' ILE . 5.0 ttm180 -41.64 -31.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.374 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.43 -50.33 10.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -57.76 -44.3 86.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.545 HD13 ' HB2' ' A' ' 230' ' ' TYR . 2.1 tt -57.65 -61.98 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 6.2 ttt -42.87 -45.5 4.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.363 1.039 . . . . 0.0 111.028 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -69.03 -53.63 19.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.729 HD13 HD21 ' A' ' 180' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.359 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.469 HG21 HD22 ' A' ' 185' ' ' LEU . 3.3 mt -76.14 -57.68 5.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 202' ' ' ASP . . . . . 0.439 ' N ' ' OH ' ' A' ' 230' ' ' TYR . 0.9 OUTLIER -40.0 -41.91 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 95.7 t -62.04 -53.06 52.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.356 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 204' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 208' ' ' LEU . 21.8 mm-40 -62.49 -43.57 98.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.361 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.503 HG21 ' OG1' ' A' ' 224' ' ' THR . 21.6 mm -43.98 -47.04 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 6.3 t -62.1 -58.97 5.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.606 1.191 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 14.6 mtt-85 -54.12 -29.95 46.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 208' ' ' LEU . . . . . 0.844 HD21 ' HG2' ' A' ' 165' ' ' GLU . 3.6 mm? -77.87 -40.68 39.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 209' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 213' ' ' GLU . 2.7 ttm180 -58.37 -52.32 66.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.19 -25.62 67.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.245 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -56.25 10.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 111.035 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 212' ' ' VAL . . . . . 0.77 HG23 ' HG2' ' A' ' 213' ' ' GLU . 15.8 m -80.33 -27.72 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.196 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.77 ' HG2' HG23 ' A' ' 212' ' ' VAL . 37.3 mm-40 -114.74 -147.73 0.42 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.502 1.126 . . . . 0.0 110.348 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.296 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 219' ' ' PRO . . . . . 0.447 ' O ' ' NH1' ' A' ' 220' ' ' ARG . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.847 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 220' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 219' ' ' PRO . 0.1 OUTLIER 163.56 -45.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.599 ' O ' ' CE2' ' A' ' 232' ' ' PHE . 87.5 m-85 -90.73 20.37 4.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 222' ' ' ILE . . . . . . . . . . . . . 32.3 mm -147.99 110.72 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -124.7 119.88 30.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 224' ' ' THR . . . . . 0.529 HG23 ' CD1' ' A' ' 230' ' ' TYR . 97.1 m -109.68 114.55 28.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.588 1.18 . . . . 0.0 110.459 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 225' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 229' ' ' GLY . 24.0 t -111.15 134.98 51.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 9.2 m95 -75.32 -54.5 6.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 107.987 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -54.37 -27.67 41.16 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.496 1.122 . . . . 0.0 111.085 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 228' ' ' LEU . . . . . 0.69 HD12 ' HB2' ' A' ' 179' ' ' PRO . 1.3 mm? -105.63 -80.23 0.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.384 0.696 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 229' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 164.3 -86.08 0.1 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.47 1.106 . . . . 0.0 111.094 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 230' ' ' TYR . . . . . 0.545 ' HB2' HD13 ' A' ' 185' ' ' LEU . 48.4 m-85 -144.85 115.87 7.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 0.742 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 231' ' ' VAL . . . . . 0.472 HG22 HG23 ' A' ' 233' ' ' VAL . 0.2 OUTLIER -119.45 145.8 25.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 221' ' ' TYR . 10.0 t80 -121.44 98.21 5.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 233' ' ' VAL . . . . . 0.472 HG23 HG22 ' A' ' 231' ' ' VAL . 93.7 t -101.75 107.83 53.46 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.195 0 O-C-N 124.506 1.792 . . . . 0.0 111.009 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.673 HG23 ' N ' ' A' ' 138' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.451 -0.387 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.673 ' N ' HG23 ' A' ' 137' ' ' VAL . 3.1 mp -145.91 118.02 2.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.572 1.17 . . . . 0.0 109.32 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.666 ' HB2' ' HG2' ' A' ' 144' ' ' LYS . . . -127.29 158.68 36.55 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 143' ' ' PHE . 2.5 m-85 -121.3 -179.0 3.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.135 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -36.19 -64.83 0.55 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.558 1.162 . . . . 0.0 111.044 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -121.5 37.68 4.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 0.747 . . . . 0.0 109.262 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.584 ' CZ ' HG12 ' A' ' 212' ' ' VAL . 2.4 t80 -137.29 170.9 15.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 110.967 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.666 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -158.72 132.3 7.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.349 179.877 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.597 HD11 ' CD1' ' A' ' 161' ' ' LEU . 5.1 tt -146.71 157.41 43.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.169 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.497 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 50.3 t-20 -159.03 126.73 4.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.581 HD23 ' HG3' ' A' ' 170' ' ' LYS . 2.2 mp -78.16 -50.97 10.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -52.32 -33.77 39.76 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' THR . . . . . 0.432 HG22 ' HB2' ' A' ' 151' ' ' GLU . 4.0 m -101.57 -19.51 15.45 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.479 0.752 . . . . 0.0 110.426 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 146' ' ' ASN . 0.0 OUTLIER 52.53 50.95 17.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.231 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.432 ' HB2' HG22 ' A' ' 149' ' ' THR . 69.9 mt-10 -149.25 116.63 6.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.273 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.723 ' HG2' HD11 ' A' ' 161' ' ' LEU . 0.2 OUTLIER -123.7 152.83 41.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 111.008 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.559 ' CE2' ' HD2' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -135.66 174.73 10.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.975 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 154' ' ' ARG . . . . . 0.578 ' HB2' ' CE2' ' A' ' 143' ' ' PHE . 1.5 tmt_? -159.96 120.82 3.07 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.554 1.159 . . . . 0.0 110.267 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 49.47 54.03 11.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 59.89 59.48 2.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.46 93.0 1.12 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.517 ' HB3' ' CD1' ' A' ' 153' ' ' PHE . 18.5 Cg_endo -74.93 153.47 42.17 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.42 1.747 . . . . 0.0 111.047 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.92 135.05 6.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 111.064 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 156.86 43.12 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.546 1.814 . . . . 0.0 110.949 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.723 HD11 ' HG2' ' A' ' 152' ' ' MET . 65.7 mt -120.15 115.84 24.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 162' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 165' ' ' GLU . 2.0 p -46.56 142.1 3.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 10.5 m -43.54 -35.64 1.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.947 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -71.83 -38.86 60.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.599 1.187 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.705 ' HG2' HD21 ' A' ' 208' ' ' LEU . 0.0 OUTLIER -61.47 -71.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.44 0.73 . . . . 0.0 110.288 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 170' ' ' LYS . 0.3 OUTLIER -41.8 -38.31 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.964 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -58.13 -63.03 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.451 HG13 ' CD2' ' A' ' 185' ' ' LEU . 9.4 t -55.2 -58.75 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 172' ' ' LEU . 1.9 tt -48.59 -53.19 19.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 170' ' ' LYS . . . . . 0.581 ' HG3' HD23 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -45.67 -55.98 5.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -57.68 -31.67 66.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.597 HD11 ' HB3' ' A' ' 230' ' ' TYR . 5.2 tp -71.65 -48.93 44.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.179 . . . . 0.0 109.261 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.511 HG12 ' HA ' ' A' ' 170' ' ' LYS . 4.3 p -80.04 -0.33 3.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 174' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 170' ' ' LYS . 44.6 t -87.39 -36.09 17.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 110.069 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -130.26 79.38 72.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.58 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 176' ' ' PRO . . . . . 0.469 ' O ' ' CB ' ' A' ' 177' ' ' ARG . 18.4 Cg_endo -74.93 146.08 32.54 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.469 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 9.2 ttt180 81.51 -51.52 0.27 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.396 1.06 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -82.31 114.12 48.98 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 0.0 110.348 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 179' ' ' PRO . . . . . 0.572 ' HG2' HD22 ' A' ' 228' ' ' LEU . 18.1 Cg_endo -75.06 152.01 39.95 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.456 1.767 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.472 ' O ' HD12 ' A' ' 185' ' ' LEU . 18.8 mt -142.78 117.21 9.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 181' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 184' ' ' LYS . 52.6 p -45.11 142.83 1.78 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.14 . . . . 0.0 109.954 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 182' ' ' ARG . . . . . 0.712 ' HA ' HD13 ' A' ' 185' ' ' LEU . 0.0 OUTLIER -44.66 -26.12 0.35 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 183' ' ' ASP . . . . . 0.411 ' N ' ' C ' ' A' ' 181' ' ' SER . 1.1 m-20 -64.33 -43.84 93.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.369 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 184' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 181' ' ' SER . 0.0 OUTLIER -67.04 -35.17 79.3 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.712 HD13 ' HA ' ' A' ' 182' ' ' ARG . 0.7 OUTLIER -56.1 -67.01 0.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.102 . . . . 0.0 109.238 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 25.7 ptm -55.53 -33.57 63.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.433 1.083 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.69 -49.97 71.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.419 0 O-C-N 124.31 1.006 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 200' ' ' SER . . . . . 0.511 ' HB3' HG23 ' A' ' 203' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 185' ' ' LEU . 2.6 mt -58.22 -57.03 12.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 202' ' ' ASP . . . . . 0.444 ' OD2' ' CZ2' ' A' ' 226' ' ' TRP . 0.2 OUTLIER -44.05 -44.47 7.45 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.452 1.095 . . . . 0.0 109.359 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 203' ' ' VAL . . . . . 0.511 HG23 ' HB3' ' A' ' 200' ' ' SER . 82.3 t -62.66 -59.47 4.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 204' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 207' ' ' ARG . 5.4 mt-30 -52.91 -56.3 16.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.593 1.183 . . . . 0.0 110.356 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.539 HG22 ' HD2' ' A' ' 209' ' ' ARG . 20.7 mm -40.31 -38.96 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 3.2 t -66.22 -50.12 64.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.578 1.174 . . . . 0.0 109.946 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 207' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 204' ' ' GLN . 0.1 OUTLIER -60.73 -30.07 69.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.346 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 208' ' ' LEU . . . . . 0.794 ' O ' HG22 ' A' ' 212' ' ' VAL . 20.4 mt -79.99 -30.89 39.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 209' ' ' ARG . . . . . 0.539 ' HD2' HG22 ' A' ' 205' ' ' ILE . 0.0 OUTLIER -67.06 -55.82 12.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 21.2 ttt-85 -63.42 -35.03 79.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 0.0 110.35 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -60.43 3.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.59 1.181 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 212' ' ' VAL . . . . . 0.794 HG22 ' O ' ' A' ' 208' ' ' LEU . 35.5 m -71.83 -30.21 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.774 ' HG2' HG23 ' A' ' 212' ' ' VAL . 5.5 mm-40 -115.27 93.36 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.428 1.08 . . . . 0.0 110.315 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 219' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' A' ' 213' ' ' GLU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 110.964 -0.437 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.12 -47.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.338 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.657 ' O ' HD13 ' A' ' 222' ' ' ILE . 20.8 m-85 -91.01 18.9 6.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 111.087 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 222' ' ' ILE . . . . . 0.657 HD13 ' O ' ' A' ' 221' ' ' TYR . 19.6 mm -143.65 112.02 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 223' ' ' GLN . . . . . 0.45 ' CB ' HG13 ' A' ' 231' ' ' VAL . 5.3 mm-40 -119.99 103.42 9.29 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 17.9 m -105.31 115.59 30.52 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.562 1.164 . . . . 0.0 110.419 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 225' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 229' ' ' GLY . 0.7 OUTLIER -121.82 105.55 16.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 226' ' ' TRP . . . . . 0.444 ' CZ2' ' OD2' ' A' ' 202' ' ' ASP . 68.0 m95 -50.44 -42.44 54.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 107.991 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -51.39 -20.46 5.23 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.478 1.111 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 228' ' ' LEU . . . . . 0.572 HD22 ' HG2' ' A' ' 179' ' ' PRO . 4.2 mt -128.94 -78.29 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 229' ' ' GLY . . . . . 0.496 ' C ' ' CD1' ' A' ' 230' ' ' TYR . . . 179.68 -110.81 0.29 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.117 . . . . 0.0 110.964 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 230' ' ' TYR . . . . . 0.602 ' HB2' HD11 ' A' ' 185' ' ' LEU . 9.6 m-85 -139.5 117.16 11.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.75 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 231' ' ' VAL . . . . . 0.453 HG21 ' O ' ' A' ' 177' ' ' ARG . 7.0 p -119.11 155.17 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.544 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 2.7 t80 -118.57 95.7 4.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.383 1.052 . . . . 0.0 110.977 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 45.2 t -112.43 97.65 40.8 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 234' ' ' PRO . . . . . 0.56 ' HB3' ' CD2' ' A' ' 221' ' ' TYR . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.563 1.823 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.824 ' C ' HD12 ' A' ' 138' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.824 HD12 ' C ' ' A' ' 137' ' ' VAL . 2.5 mp -136.92 113.45 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.01 154.1 33.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.56 ' CD1' ' HB2' ' A' ' 143' ' ' PHE . 5.0 m-85 -120.16 -179.4 3.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -60.02 -13.91 29.11 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.455 1.097 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -143.18 -48.09 0.31 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 0.768 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.56 ' HB2' ' CD1' ' A' ' 140' ' ' PHE . 24.9 m-85 -74.85 158.08 34.02 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.518 1.136 . . . . 0.0 111.043 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -145.12 113.21 6.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.616 HD12 ' SD ' ' A' ' 152' ' ' MET . 3.6 tt -119.74 149.27 42.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.231 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -160.37 121.91 3.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.926 HD13 ' HG3' ' A' ' 170' ' ' LYS . 6.7 mt -84.38 -42.02 16.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -58.25 -22.29 49.84 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 52.1 m -113.02 -12.81 13.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.771 . . . . 0.0 110.376 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 50.43 51.85 16.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.326 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 153' ' ' PHE . 1.5 mt-10 -146.88 115.83 6.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 0.0 110.361 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.616 ' SD ' HD12 ' A' ' 145' ' ' LEU . 3.5 ttt -119.93 145.62 46.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.664 ' CD1' ' N ' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -156.63 156.85 34.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 154' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' A' ' 154' ' ' ARG . 12.1 ptt85 -130.4 104.3 7.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.247 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 155' ' ' GLU . . . . . 0.509 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 0.6 OUTLIER 88.28 -31.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 155' ' ' GLU . 3.7 m-20 161.14 -28.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.2 113.36 7.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 139.47 24.46 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.522 1.801 . . . . 0.0 111.032 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' MET . . . . . 0.471 ' CE ' ' SD ' ' A' ' 211' ' ' MET . 1.5 ptm -158.13 111.26 1.73 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 160' ' ' PRO . . . . . 0.619 ' O ' HD23 ' A' ' 161' ' ' LEU . 18.3 Cg_endo -74.95 -177.45 3.47 Favored 'Trans proline' 0 C--N 1.362 1.252 0 O-C-N 124.459 1.768 . . . . 0.0 111.038 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.794 HD22 HD22 ' A' ' 208' ' ' LEU . 89.5 mt -137.11 111.17 8.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -48.66 158.44 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 29.2 m -45.98 -54.88 7.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.052 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -54.65 -48.66 64.64 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.572 1.17 . . . . 0.0 110.995 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.49 ' HG2' HD21 ' A' ' 208' ' ' LEU . 5.5 mt-10 -61.95 -67.44 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 110.363 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 147' ' ' LEU . 2.9 t80 -42.63 -48.24 5.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -53.29 -63.41 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.601 ' O ' ' HB3' ' A' ' 171' ' ' ALA . 5.3 t -45.87 -55.65 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.545 HD11 ' CD1' ' A' ' 145' ' ' LEU . 8.2 tt -52.41 -57.45 9.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 170' ' ' LYS . . . . . 0.926 ' HG3' HD13 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -46.11 -35.5 5.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 168' ' ' VAL . . . -66.85 -50.41 62.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.518 HD22 ' HB2' ' A' ' 232' ' ' PHE . 0.3 OUTLIER -64.37 -41.35 96.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 56.0 t -77.33 -14.45 14.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 174' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 170' ' ' LYS . 1.1 m -77.74 -15.27 59.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.949 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.39 91.43 5.05 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.558 1.161 . . . . 0.0 109.528 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.89 148.88 36.44 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.564 1.823 . . . . 0.0 111.041 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 50.29 30.65 4.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.98 106.17 12.55 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 110.3 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 179' ' ' PRO . . . . . 0.439 ' HB2' HD12 ' A' ' 228' ' ' LEU . 18.3 Cg_endo -74.98 144.45 30.35 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.545 1.813 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 3.1 mt -137.69 163.7 30.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.377 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 181' ' ' SER . . . . . 0.475 ' O ' HD23 ' A' ' 185' ' ' LEU . 29.7 p -90.17 148.6 22.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 110.039 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 182' ' ' ARG . . . . . 0.454 ' HB3' ' CD1' ' A' ' 201' ' ' ILE . 1.2 mpp_? -50.93 -28.06 8.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 110.357 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 183' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 187' ' ' ASN . 4.1 t0 -71.01 -28.87 64.73 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.48 1.113 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 184' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 181' ' ' SER . 1.1 mmtt -76.83 -19.55 57.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.534 HD12 HG21 ' A' ' 201' ' ' ILE . 1.0 OUTLIER -71.65 -58.26 3.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 186' ' ' MET . . . . . 0.402 ' SD ' ' C ' ' A' ' 186' ' ' MET . 5.0 ppp? -71.37 -33.79 69.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 187' ' ' ASN . . . . . 0.417 ' CB ' ' O ' ' A' ' 183' ' ' ASP . 12.2 t-20 -61.88 -63.49 1.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.367 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.413 1.071 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.534 HG21 HD12 ' A' ' 185' ' ' LEU . 0.9 OUTLIER -109.42 -64.78 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.355 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 202' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 201' ' ' ILE . 0.5 OUTLIER -36.41 -33.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.29 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 203' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 201' ' ' ILE . 54.1 t -60.62 -61.27 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 204' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 201' ' ' ILE . 2.0 mt-30 -61.35 -28.78 69.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 110.342 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.475 ' CD1' HG22 ' A' ' 201' ' ' ILE . 0.6 OUTLIER -56.71 -63.58 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 206' ' ' SER . . . . . 0.432 ' N ' HG22 ' A' ' 205' ' ' ILE . 73.6 p -50.72 -31.87 17.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.044 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -71.06 -51.77 23.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.353 1.033 . . . . 0.0 110.246 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 208' ' ' LEU . . . . . 0.794 HD22 HD22 ' A' ' 161' ' ' LEU . 53.9 mt -67.86 -28.92 67.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 209' ' ' ARG . . . . . 0.463 ' NH2' ' CB ' ' A' ' 208' ' ' LEU . 6.8 mmp_? -80.3 -41.24 25.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -64.09 -18.7 64.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 211' ' ' MET . . . . . 0.471 ' SD ' ' CE ' ' A' ' 159' ' ' MET . 4.4 ttm -73.77 -62.16 1.59 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 212' ' ' VAL . . . . . 0.589 HG23 ' HG2' ' A' ' 213' ' ' GLU . 30.2 m -76.74 -33.99 22.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.073 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.589 ' HG2' HG23 ' A' ' 212' ' ' VAL . 66.9 mm-40 -112.75 90.12 3.26 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.866 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 220' ' ' ARG . . . . . 0.537 ' HG3' ' CD2' ' A' ' 221' ' ' TYR . 7.7 ptp180 -133.67 -45.26 0.81 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 110.367 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.575 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 75.2 m-85 -87.44 18.32 3.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 111.065 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 222' ' ' ILE . . . . . 0.56 HD11 ' CD2' ' A' ' 232' ' ' PHE . 5.5 mm -151.87 117.47 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.107 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 223' ' ' GLN . . . . . 0.5 ' O ' HG12 ' A' ' 231' ' ' VAL . 73.3 mm-40 -122.94 106.1 10.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.255 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 22.1 m -70.08 117.95 12.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.421 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 225' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 229' ' ' GLY . 62.4 t -116.88 116.95 53.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 46.3 m95 -55.45 -56.94 14.43 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 108.04 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -46.1 -39.48 9.28 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.511 1.132 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 228' ' ' LEU . . . . . 0.457 ' H ' HG12 ' A' ' 225' ' ' VAL . 1.5 mm? -101.92 -93.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 0.745 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 229' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 174.29 -75.44 0.08 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.148 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 230' ' ' TYR . . . . . 0.417 ' OH ' ' N ' ' A' ' 202' ' ' ASP . 70.7 m-85 -144.38 119.58 10.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.573 0.808 . . . . 0.0 110.973 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 231' ' ' VAL . . . . . 0.5 HG12 ' O ' ' A' ' 223' ' ' GLN . 2.4 p -119.08 144.21 28.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 2.6 t80 -119.96 97.97 5.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.956 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 233' ' ' VAL . . . . . 0.632 HG13 ' HD2' ' A' ' 234' ' ' PRO . 76.6 t -118.64 141.12 29.35 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 234' ' ' PRO . . . . . 0.632 ' HD2' HG13 ' A' ' 233' ' ' VAL . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.725 ' C ' HD12 ' A' ' 138' ' ' ILE . 1.3 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.725 HD12 ' C ' ' A' ' 137' ' ' VAL . 3.6 mp -126.6 107.05 16.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -123.83 148.46 46.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.403 1.065 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.711 ' CD2' ' CE2' ' A' ' 221' ' ' TYR . 10.4 p90 -152.76 80.75 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 140' ' ' PHE . . . 55.79 112.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.69 -60.37 0.47 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 0.75 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.7 ' CG ' ' CE2' ' A' ' 140' ' ' PHE . 75.4 m-85 -65.9 147.23 53.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.95 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -160.27 113.28 2.09 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.62 HD21 ' CD2' ' A' ' 147' ' ' LEU . 8.9 tt -119.12 149.44 41.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.569 ' OD1' HG12 ' A' ' 137' ' ' VAL . 48.3 t30 -151.47 113.39 4.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.729 HD13 ' HG2' ' A' ' 170' ' ' LYS . 12.2 mt -78.56 -36.68 44.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -55.49 -24.54 39.01 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.471 1.107 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 18.8 m -115.98 -12.03 11.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 0.771 . . . . 0.0 110.428 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 57.46 48.72 14.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -150.13 121.0 7.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.412 ' SD ' ' C ' ' A' ' 152' ' ' MET . 0.4 OUTLIER -126.23 151.85 46.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.484 ' HA ' ' O ' ' A' ' 157' ' ' GLU . 0.0 OUTLIER -148.65 174.8 11.77 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.553 1.158 . . . . 0.0 111.044 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 154' ' ' ARG . . . . . 0.57 ' HG3' ' CE1' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -153.33 91.95 1.55 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 61.47 72.26 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 110.363 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 56.03 68.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.17 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' GLU . . . . . 0.484 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 44.1 tt0 -159.98 91.79 1.75 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 119.65 5.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.557 1.82 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' MET . . . . . 0.401 ' SD ' ' SD ' ' A' ' 152' ' ' MET . 3.2 ptp -149.98 122.36 4.22 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -175.79 2.54 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.483 1.78 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 5.5 mt -141.15 99.71 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.256 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 162' ' ' THR . . . . . 0.478 HG23 ' H ' ' A' ' 165' ' ' GLU . 12.9 t -39.26 155.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.387 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.8 m -46.98 -43.56 19.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.041 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.797 ' O ' HG23 ' A' ' 168' ' ' VAL . . . -56.81 -60.13 9.57 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.48 1.112 . . . . 0.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.524 ' HB3' HD21 ' A' ' 208' ' ' LEU . 25.2 mt-10 -57.3 -64.99 0.7 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.416 0.715 . . . . 0.0 110.257 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.521 ' CE1' ' HG3' ' A' ' 170' ' ' LYS . 6.0 t80 -42.52 -45.67 4.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -63.02 -47.0 84.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 164' ' ' GLY . 95.9 t -63.26 -56.97 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 1.015 HD23 HD22 ' A' ' 208' ' ' LEU . 0.2 OUTLIER -57.12 -27.84 62.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.112 . . . . 0.0 109.365 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 170' ' ' LYS . . . . . 0.729 ' HG2' HD13 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -63.59 -53.39 52.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -54.53 -53.28 56.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.463 HD22 ' HB2' ' A' ' 232' ' ' PHE . 0.5 OUTLIER -54.49 -45.81 73.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.615 1.197 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 25.1 t -70.37 -20.63 22.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 174' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 170' ' ' LYS . 1.0 OUTLIER -80.08 -20.35 45.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.622 1.201 . . . . 0.0 110.01 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 175' ' ' HIS . . . . . 0.593 ' CE1' ' HG3' ' A' ' 178' ' ' GLU . 0.2 OUTLIER -138.88 85.7 16.13 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.555 1.16 . . . . 0.0 109.595 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 122.91 7.48 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.4 1.737 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 73.53 29.98 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.593 ' HG3' ' CE1' ' A' ' 175' ' ' HIS . 6.1 mm-40 -131.74 107.35 14.16 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 179' ' ' PRO . . . . . 0.604 ' HB2' HD12 ' A' ' 228' ' ' LEU . 18.5 Cg_endo -75.0 124.03 8.32 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.475 1.776 . . . . 0.0 111.036 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 2.5 mp -132.78 117.27 17.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 90.6 p -44.5 146.65 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.044 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 182' ' ' ARG . . . . . 0.661 ' HB2' HD12 ' A' ' 201' ' ' ILE . 0.0 OUTLIER -49.78 -25.22 2.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.78 -32.63 73.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.52 -36.97 60.42 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.718 ' CD2' HG13 ' A' ' 168' ' ' VAL . 2.6 mp -55.04 -64.79 0.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -54.97 -35.78 64.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 110.991 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -52.47 -41.91 63.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 42.0 tp . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.661 HD12 ' HB2' ' A' ' 182' ' ' ARG . 27.0 mt -70.18 -54.59 18.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.386 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 202' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 201' ' ' ILE . 3.0 t0 -40.22 -59.29 1.3 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 43.1 t -51.03 -58.3 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.219 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 204' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 208' ' ' LEU . 0.0 OUTLIER -50.87 -60.22 3.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.277 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.492 HG13 ' CD2' ' A' ' 230' ' ' TYR . 8.2 mm -42.82 -51.7 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 3.6 m -54.45 -41.9 69.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 207' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 204' ' ' GLN . 20.5 mmt85 -76.07 -22.01 56.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.226 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 208' ' ' LEU . . . . . 1.015 HD22 HD23 ' A' ' 169' ' ' LEU . 1.2 mt -80.38 -54.84 5.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 209' ' ' ARG . . . . . 0.694 ' HB3' HG21 ' A' ' 222' ' ' ILE . 0.0 OUTLIER -61.63 -24.38 66.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 110.335 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -74.08 -43.06 59.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.339 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 10.5 mtp -60.72 -52.19 66.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.08 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 212' ' ' VAL . . . . . . . . . . . . . 20.3 m -70.96 -44.39 75.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.218 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -129.14 99.95 5.44 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.912 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.895 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.35 -53.44 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.711 ' CE2' ' CD2' ' A' ' 140' ' ' PHE . 13.5 m-85 -88.85 22.03 2.84 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 222' ' ' ILE . . . . . 0.694 HG21 ' HB3' ' A' ' 209' ' ' ARG . 17.7 mm -141.28 114.27 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.23 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 223' ' ' GLN . . . . . 0.668 ' HB2' HG13 ' A' ' 231' ' ' VAL . 5.7 mm-40 -119.59 105.45 11.22 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.558 1.161 . . . . 0.0 110.257 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 54.9 m -112.56 112.36 23.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.585 1.178 . . . . 0.0 110.368 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 225' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 229' ' ' GLY . 18.6 m -122.61 115.94 47.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -65.57 -22.15 66.67 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -71.21 -16.91 75.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.468 1.105 . . . . 0.0 111.056 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 228' ' ' LEU . . . . . 0.604 HD12 ' HB2' ' A' ' 179' ' ' PRO . 0.1 OUTLIER -131.88 -69.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 229' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 172.91 -112.24 0.42 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.52 1.137 . . . . 0.0 111.048 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 230' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 182' ' ' ARG . 24.6 m-85 -140.47 113.87 8.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 0.757 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 231' ' ' VAL . . . . . 0.668 HG13 ' HB2' ' A' ' 223' ' ' GLN . 13.1 p -119.5 154.97 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 221' ' ' TYR . 4.2 t80 -120.11 97.81 5.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 93.4 t -110.26 99.74 41.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.225 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 234' ' ' PRO . . . . . 0.567 ' HB3' ' CD2' ' A' ' 221' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.208 0 O-C-N 124.438 1.757 . . . . 0.0 111.004 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.62 HG12 ' CG ' ' A' ' 146' ' ' ASN . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.758 ' HB ' HD22 ' A' ' 145' ' ' LEU . 4.4 mp -134.31 111.19 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.37 1.044 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.647 ' HB2' ' HG2' ' A' ' 144' ' ' LYS . . . -121.01 156.43 32.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.603 ' HE1' HG22 ' A' ' 138' ' ' ILE . 2.3 m-85 -122.08 -179.59 4.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -37.86 -67.32 0.5 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.558 1.162 . . . . 0.0 111.036 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.31 38.33 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 0.806 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.571 ' HB3' ' CD2' ' A' ' 140' ' ' PHE . 1.6 t80 -141.42 166.48 24.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.647 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 1.0 OUTLIER -157.47 124.78 5.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 1.08 HD21 ' CD1' ' A' ' 147' ' ' LEU . 0.4 OUTLIER -139.99 158.42 44.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.741 ' N ' HD23 ' A' ' 145' ' ' LEU . 52.5 t-20 -158.08 117.47 3.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.245 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 1.08 ' CD1' HD21 ' A' ' 145' ' ' LEU . 7.1 mp -77.15 -46.63 22.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -52.93 -20.12 7.9 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.457 1.098 . . . . 0.0 110.979 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' THR . . . . . 0.404 ' O ' ' CB ' ' A' ' 150' ' ' ARG . 4.3 m -113.03 -36.14 5.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.746 . . . . 0.0 110.398 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.492 ' HG3' ' CD2' ' A' ' 166' ' ' PHE . 0.1 OUTLIER 77.88 40.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.294 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -144.19 114.09 7.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.574 1.172 . . . . 0.0 110.327 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.758 ' HG2' HD11 ' A' ' 161' ' ' LEU . 0.1 OUTLIER -126.8 152.93 46.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.516 ' CD1' ' N ' ' A' ' 153' ' ' PHE . 0.1 OUTLIER -128.61 173.73 10.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.394 1.059 . . . . 0.0 111.04 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 154' ' ' ARG . . . . . 0.566 ' HB3' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -159.76 121.14 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 110.264 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 54.01 41.1 32.16 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.571 1.169 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 4.5 t70 70.11 50.67 0.43 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.152 . . . . 0.0 109.317 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 0.1 OUTLIER -154.43 104.11 2.38 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.07 . . . . 0.0 110.202 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 139.46 24.04 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.508 1.794 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' MET . . . . . 0.465 ' CG ' ' SD ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -140.23 145.16 40.38 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 111.028 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.15 174.09 13.39 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.782 . . . . 0.0 110.914 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.758 HD11 ' HG2' ' A' ' 152' ' ' MET . 8.7 mt -134.72 111.06 9.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 162' ' ' THR . . . . . 0.565 HG22 ' H ' ' A' ' 164' ' ' GLY . 7.2 m -62.34 143.13 57.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.396 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 10.5 m -40.08 -37.02 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.958 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.565 ' H ' HG22 ' A' ' 162' ' ' THR . . . -70.36 -56.26 7.91 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.863 ' HB3' HD21 ' A' ' 208' ' ' LEU . 6.6 mt-10 -54.1 -63.21 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.36 0.682 . . . . 0.0 110.238 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.529 ' CE2' ' HA ' ' A' ' 147' ' ' LEU . 5.8 t80 -46.54 -53.53 11.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -55.49 -60.92 2.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.657 HG22 HD13 ' A' ' 201' ' ' ILE . 37.9 t -50.8 -60.38 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.72 HD13 HD22 ' A' ' 208' ' ' LEU . 0.8 OUTLIER -49.89 -45.06 50.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 170' ' ' LYS . . . . . 0.598 ' HG3' HD23 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -52.85 -58.97 5.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 109.254 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.423 ' HA ' HD22 ' A' ' 188' ' ' LEU . . . -57.24 -23.92 51.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.637 HD13 HD21 ' A' ' 185' ' ' LEU . 6.4 tp -79.49 -49.53 12.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 170' ' ' LYS . 5.5 p -80.04 0.15 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 174' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 170' ' ' LYS . 40.7 t -84.23 -28.25 27.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.095 . . . . 0.0 110.018 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -125.35 92.37 47.17 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.521 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 132.57 15.53 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.456 1.766 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.424 ' O ' HG21 ' A' ' 231' ' ' VAL . 0.4 OUTLIER 72.87 -58.32 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -57.28 109.45 1.75 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.155 . . . . 0.0 110.344 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 179' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 140.58 25.51 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.508 1.794 . . . . 0.0 111.0 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.614 HD23 ' HB3' ' A' ' 184' ' ' LYS . 2.8 mp -124.56 154.31 40.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 181' ' ' SER . . . . . 0.66 ' O ' HD12 ' A' ' 185' ' ' LEU . 51.8 p -74.54 161.08 30.09 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.548 1.155 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -37.88 63.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.84 -49.46 38.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 184' ' ' LYS . . . . . 0.614 ' HB3' HD23 ' A' ' 180' ' ' LEU . 11.0 mmtm -49.2 -27.14 3.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.064 . . . . 0.0 109.237 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 181' ' ' SER . 2.6 mp -70.56 -62.64 1.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.362 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 186' ' ' MET . . . . . 0.407 ' HG3' ' N ' ' A' ' 187' ' ' ASN . 1.7 ppp? -64.93 -18.37 65.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.59 1.182 . . . . 0.0 111.016 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 187' ' ' ASN . . . . . 0.407 ' N ' ' HG3' ' A' ' 186' ' ' MET . 2.5 t30 -79.86 -53.47 6.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.384 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 171' ' ' ALA . 9.8 tt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.657 HD13 HG22 ' A' ' 168' ' ' VAL . 2.5 mm -61.65 -59.11 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.405 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -46.36 -31.15 2.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 69.7 t -79.7 -50.39 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.122 . . . . 0.0 109.401 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 204' ' ' GLN . . . . . 0.454 ' CB ' HG21 ' A' ' 168' ' ' VAL . 1.3 tp60 -59.32 -38.82 81.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.483 HG13 ' CD1' ' A' ' 230' ' ' TYR . 21.3 mm -63.12 -62.41 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.366 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 3.9 t -44.99 -53.25 7.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.043 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -58.19 -27.59 64.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 208' ' ' LEU . . . . . 0.863 HD21 ' HB3' ' A' ' 165' ' ' GLU . 15.8 mt -80.13 -54.56 5.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 209' ' ' ARG . . . . . 0.694 ' HG2' HG21 ' A' ' 222' ' ' ILE . 19.1 mtm105 -42.47 -47.65 5.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.358 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -34.5 73.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 211' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 208' ' ' LEU . 0.0 OUTLIER -69.05 -57.31 5.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 212' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 208' ' ' LEU . 34.9 m -72.1 -35.6 53.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 209' ' ' ARG . 14.4 mm-40 -128.1 92.75 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 11.5 pm0 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 110.989 -0.427 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.7 -46.88 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.425 1.078 . . . . 0.0 110.348 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.678 ' O ' HD13 ' A' ' 222' ' ' ILE . 34.5 m-85 -88.46 20.19 3.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 222' ' ' ILE . . . . . 0.694 HG21 ' HG2' ' A' ' 209' ' ' ARG . 16.8 mm -143.6 115.59 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 223' ' ' GLN . . . . . 0.517 ' O ' HG12 ' A' ' 231' ' ' VAL . 0.7 OUTLIER -119.45 93.12 3.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 224' ' ' THR . . . . . 0.566 HG23 ' CE1' ' A' ' 230' ' ' TYR . 36.3 m -84.41 119.03 24.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 225' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 229' ' ' GLY . 30.1 m -129.47 125.57 61.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 6.4 m-90 -66.1 -46.42 77.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -44.81 -25.52 0.94 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.18 -80.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 0.801 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 229' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 176.55 -91.29 0.08 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.477 1.111 . . . . 0.0 111.046 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 230' ' ' TYR . . . . . 0.642 ' CE2' HG22 ' A' ' 201' ' ' ILE . 83.8 m-85 -149.91 121.84 8.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 111.003 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 231' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 223' ' ' GLN . 4.8 p -119.36 155.31 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.62 ' CD2' HD23 ' A' ' 172' ' ' LEU . 1.5 t80 -119.71 98.56 6.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 54.0 t -109.11 101.06 43.45 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 234' ' ' PRO . . . . . 0.498 ' HA ' ' CD2' ' A' ' 221' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.42 1.747 . . . . 0.0 111.06 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.551 HG23 ' N ' ' A' ' 138' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.607 ' HB ' HD22 ' A' ' 145' ' ' LEU . 28.9 mm -147.85 116.76 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.464 ' HB1' ' HG2' ' A' ' 144' ' ' LYS . . . -120.82 160.91 22.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.579 ' CD1' ' HB2' ' A' ' 143' ' ' PHE . 3.6 m-85 -126.75 -178.81 4.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.94 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.85 -9.44 46.21 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.481 1.113 . . . . 0.0 111.081 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.485 ' HG3' ' CD1' ' A' ' 143' ' ' PHE . 1.9 ptmt -144.09 -48.25 0.28 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 0.779 . . . . 0.0 109.239 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.592 ' CE2' ' O ' ' A' ' 212' ' ' VAL . 48.7 m-85 -75.9 172.17 13.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.534 ' HB3' ' CD2' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -158.86 111.18 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.607 HD22 ' HB ' ' A' ' 138' ' ' ILE . 3.1 tt -119.57 148.83 42.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.616 1.197 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -160.89 114.99 2.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.357 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.751 HD13 ' CG ' ' A' ' 170' ' ' LYS . 10.1 mt -82.3 -35.62 27.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.294 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -62.37 -19.22 59.59 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 55.4 m -116.86 -10.7 10.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 110.357 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 54.47 49.88 17.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 110.366 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -148.66 120.36 8.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.555 ' C ' ' CD1' ' A' ' 153' ' ' PHE . 0.2 OUTLIER -130.29 148.04 52.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.391 1.057 . . . . 0.0 110.931 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -143.45 -179.74 6.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 111.016 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -157.63 101.41 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 55.56 70.23 0.65 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.25 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 54.25 65.56 1.48 Allowed 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 157' ' ' GLU . . . . . 0.466 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 1.0 OUTLIER -159.47 92.79 1.81 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.33 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 129.86 12.84 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.456 1.766 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' MET . . . . . 0.441 ' HE3' ' CG ' ' A' ' 211' ' ' MET . 0.1 OUTLIER -157.52 138.09 9.16 Favored Pre-proline 0 C--N 1.323 -0.553 0 O-C-N 124.471 1.107 . . . . 0.0 111.078 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 160' ' ' PRO . . . . . 0.457 ' O ' HD23 ' A' ' 161' ' ' LEU . 17.9 Cg_endo -75.03 -171.21 0.92 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.571 1.827 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 160' ' ' PRO . 80.9 mt -148.49 102.09 3.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 162' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 165' ' ' GLU . 4.5 t -42.15 143.42 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 167' ' ' ALA . 9.0 m -39.84 -46.53 1.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.967 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -53.47 -47.04 64.06 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.563 1.165 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 162' ' ' THR . 41.3 mt-10 -73.86 -65.14 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.795 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.458 ' C ' ' CD1' ' A' ' 166' ' ' PHE . 4.0 t80 -43.94 -50.23 8.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 163' ' ' SER . . . -58.64 -60.2 4.2 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.496 ' O ' ' HB3' ' A' ' 171' ' ' ALA . 9.9 t -51.92 -61.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.443 1.09 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.748 HD13 ' C ' ' A' ' 169' ' ' LEU . 1.1 tm? -45.14 -43.71 10.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 170' ' ' LYS . . . . . 0.751 ' CG ' HD13 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -58.03 -39.37 78.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 168' ' ' VAL . . . -57.37 -54.49 46.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.489 HD22 ' HB2' ' A' ' 232' ' ' PHE . 0.3 OUTLIER -59.01 -40.23 84.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.221 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 24.5 t -74.6 -13.64 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.343 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 174' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 170' ' ' LYS . 7.5 t -79.21 -33.24 43.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.939 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 175' ' ' HIS . . . . . 0.432 ' HB3' ' CB ' ' A' ' 178' ' ' GLU . 11.8 m80 -123.03 88.01 50.97 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.179 . . . . 0.0 109.584 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 118.58 5.33 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 0.0 111.059 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 74.0 22.29 2.42 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.432 ' CB ' ' HB3' ' A' ' 175' ' ' HIS . 1.9 mm-40 -126.67 119.91 22.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 110.243 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 179' ' ' PRO . . . . . 0.55 ' HB2' HD12 ' A' ' 228' ' ' LEU . 18.3 Cg_endo -75.07 150.49 37.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.524 1.802 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.486 ' O ' ' CD1' ' A' ' 185' ' ' LEU . 1.6 mp -158.03 136.16 10.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.432 1.083 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 12.0 p -67.65 145.29 54.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 182' ' ' ARG . . . . . 0.512 ' HB3' ' CE1' ' A' ' 230' ' ' TYR . 0.1 OUTLIER -48.18 -24.38 1.13 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -69.16 -50.26 49.36 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.504 1.127 . . . . 0.0 109.221 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 184' ' ' LYS . . . . . 0.484 ' CG ' HD23 ' A' ' 180' ' ' LEU . 13.8 tptt -75.13 -31.66 61.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.365 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.486 ' CD1' ' O ' ' A' ' 180' ' ' LEU . 0.0 OUTLIER -57.95 -58.76 6.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.615 1.197 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 186' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 187' ' ' ASN . 4.0 ptt? -66.49 -33.42 75.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 187' ' ' ASN . . . . . 0.413 ' N ' ' HG3' ' A' ' 186' ' ' MET . 22.8 t-20 -66.21 -55.25 17.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 4.5 tp . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.596 1.185 . . . . 0.0 109.282 -179.934 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.483 HD12 ' CD2' ' A' ' 185' ' ' LEU . 4.9 mm -54.2 -56.82 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.29 -35.4 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 87.7 t -80.13 -44.2 22.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 204' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 201' ' ' ILE . 30.7 mm-40 -62.24 -58.99 5.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.37 1.044 . . . . 0.0 110.3 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 205' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -52.34 -33.49 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 29.5 t -67.74 -41.22 83.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -75.92 -28.33 57.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.219 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 208' ' ' LEU . . . . . 0.681 ' O ' HG22 ' A' ' 212' ' ' VAL . 14.1 mt -74.49 -43.84 54.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.581 1.176 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 209' ' ' ARG . . . . . 0.435 ' CG ' HG21 ' A' ' 222' ' ' ILE . 4.0 mtp180 -56.95 -49.11 76.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.342 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -19.89 62.55 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.604 1.19 . . . . 0.0 110.301 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 211' ' ' MET . . . . . 0.441 ' CG ' ' HE3' ' A' ' 159' ' ' MET . 36.9 ttm -78.82 -48.98 13.73 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 212' ' ' VAL . . . . . 0.822 HG23 ' HG2' ' A' ' 213' ' ' GLU . 25.2 m -80.71 -33.65 13.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.822 ' HG2' HG23 ' A' ' 212' ' ' VAL . 17.1 mm-40 -136.59 -149.45 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.242 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.95 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.898 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -137.23 -50.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.244 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.562 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 26.9 m-85 -90.02 20.02 4.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.586 1.179 . . . . 0.0 110.97 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 222' ' ' ILE . . . . . 0.513 HD13 ' O ' ' A' ' 221' ' ' TYR . 31.4 mm -144.89 116.64 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 223' ' ' GLN . . . . . 0.738 ' O ' HG12 ' A' ' 231' ' ' VAL . 0.1 OUTLIER -119.72 80.06 1.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.168 . . . . 0.0 110.23 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 98.7 m -74.58 123.88 25.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 225' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 229' ' ' GLY . 2.2 p -131.31 112.23 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 226' ' ' TRP . . . . . 0.453 ' O ' ' N ' ' A' ' 228' ' ' LEU . 0.8 OUTLIER -58.45 -56.33 23.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 108.012 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -37.51 -30.76 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.448 1.092 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 228' ' ' LEU . . . . . 0.55 HD12 ' HB2' ' A' ' 179' ' ' PRO . 1.0 OUTLIER -115.08 -85.65 0.61 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 0.756 . . . . 0.0 109.298 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 229' ' ' GLY . . . . . 0.594 ' C ' ' CD1' ' A' ' 230' ' ' TYR . . . -173.74 -94.19 0.09 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 230' ' ' TYR . . . . . 0.594 ' CD1' ' C ' ' A' ' 229' ' ' GLY . 35.6 m-85 -151.25 119.53 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 231' ' ' VAL . . . . . 0.738 HG12 ' O ' ' A' ' 223' ' ' GLN . 2.9 p -119.33 157.66 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 1.5 t80 -122.11 100.36 6.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 53.1 t -112.63 96.24 35.96 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.651 HG23 ' N ' ' A' ' 138' ' ' ILE . 1.4 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.651 ' N ' HG23 ' A' ' 137' ' ' VAL . 5.3 mp -134.62 110.47 13.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.408 1.068 . . . . 0.0 109.301 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 143' ' ' PHE . . . -129.41 152.51 48.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.734 ' CE2' ' CG ' ' A' ' 143' ' ' PHE . 3.2 p90 -160.18 123.52 3.52 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.475 1.109 . . . . 0.0 110.952 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 64.11 -88.84 0.08 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -123.96 0.23 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.598 0.822 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.734 ' CG ' ' CE2' ' A' ' 140' ' ' PHE . 98.6 m-85 -94.97 138.51 32.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.57 ' HG3' ' CD2' ' A' ' 153' ' ' PHE . 0.3 OUTLIER -147.32 110.26 4.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.734 HD12 ' SD ' ' A' ' 152' ' ' MET . 4.3 tt -119.79 148.06 43.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.416 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 46.5 t-20 -150.86 114.82 5.01 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.469 1.106 . . . . 0.0 109.226 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.962 HD13 ' HG3' ' A' ' 170' ' ' LYS . 10.0 mt -75.61 -43.17 49.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.409 1.068 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -50.7 -26.12 10.17 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 98.4 m -117.16 -11.26 10.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 0.784 . . . . 0.0 110.343 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 16.5 ttp85 53.61 50.06 18.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -144.06 116.38 8.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.341 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.734 ' SD ' HD12 ' A' ' 145' ' ' LEU . 12.8 ttt -132.36 149.71 52.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.387 1.055 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.57 ' CD2' ' HG3' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -147.23 179.46 7.62 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 154' ' ' ARG . . . . . 0.567 ' HG3' ' CE1' ' A' ' 143' ' ' PHE . 0.1 OUTLIER -160.13 104.01 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.202 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 57.22 67.91 0.92 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.482 1.114 . . . . 0.0 110.254 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 5.3 t70 53.4 65.67 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' GLU . . . . . 0.434 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -156.98 91.62 2.44 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.113 . . . . 0.0 110.247 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 124.93 8.98 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.557 1.819 . . . . 0.0 110.986 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 159' ' ' MET . . . . . 0.418 ' HA ' ' HD3' ' A' ' 160' ' ' PRO . 0.0 OUTLIER -149.28 138.81 12.83 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.436 1.085 . . . . 0.0 110.953 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 160' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 159' ' ' MET . 18.1 Cg_endo -75.1 -163.29 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.403 1.738 . . . . 0.0 110.948 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.663 HD23 ' HE1' ' A' ' 211' ' ' MET . 1.7 mt -141.45 102.99 4.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 162' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 161' ' ' LEU . 9.7 m -38.42 152.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 110.387 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 9.0 m -50.72 -37.25 40.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 109.946 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -79.34 -49.2 6.37 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.523 1.139 . . . . 0.0 111.054 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.59 ' HA ' HD21 ' A' ' 208' ' ' LEU . 1.9 mt-10 -53.9 -62.29 1.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 110.276 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 147' ' ' LEU . 6.1 t80 -50.42 -54.52 21.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -57.37 -59.97 4.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.796 HG11 ' HB3' ' A' ' 204' ' ' GLN . 14.5 t -46.11 -47.46 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.359 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.754 HD13 HD12 ' A' ' 208' ' ' LEU . 14.8 tp -64.96 -48.76 72.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 170' ' ' LYS . . . . . 0.962 ' HG3' HD13 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -51.19 -36.81 43.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.609 1.193 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.411 ' HB1' ' HA ' ' A' ' 185' ' ' LEU . . . -64.95 -44.0 90.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.6 -48.85 45.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 11.5 t -65.56 -19.72 26.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.24 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.84 -35.17 79.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.052 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 175' ' ' HIS . . . . . 0.415 ' CB ' HD11 ' A' ' 180' ' ' LEU . 0.1 OUTLIER -128.81 92.31 40.5 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.614 1.196 . . . . 0.0 109.59 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 176' ' ' PRO . . . . . 0.466 ' O ' ' CB ' ' A' ' 177' ' ' ARG . 18.4 Cg_endo -74.97 111.19 3.27 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.533 1.807 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.466 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 6.2 ttp-105 81.53 30.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.35 114.93 12.6 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 179' ' ' PRO . . . . . 0.91 ' CB ' HD13 ' A' ' 228' ' ' LEU . 18.5 Cg_endo -74.86 134.93 18.69 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.404 1.739 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.426 HD22 HD22 ' A' ' 188' ' ' LEU . 1.2 mp -135.05 164.71 27.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 181' ' ' SER . . . . . 0.557 ' O ' HD12 ' A' ' 185' ' ' LEU . 13.0 t -84.13 153.05 23.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.594 1.184 . . . . 0.0 110.008 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 182' ' ' ARG . . . . . 0.51 ' O ' ' CD1' ' A' ' 201' ' ' ILE . 1.3 mpp_? -52.18 -35.8 49.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.404 1.065 . . . . 0.0 110.288 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -72.97 -34.96 66.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 109.263 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -65.34 -41.98 93.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.359 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.647 ' HB2' HD13 ' A' ' 201' ' ' ILE . 3.5 mp -54.24 -63.11 1.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 25.6 ttt -39.93 -44.24 1.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.995 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -73.86 -54.53 7.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.426 HD22 HD22 ' A' ' 180' ' ' LEU . 1.9 tp . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 200' ' ' SER . . . . . 0.642 ' OG ' HG21 ' A' ' 203' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.647 HD13 ' HB2' ' A' ' 185' ' ' LEU . 62.2 mt -93.4 -60.88 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.65 -45.32 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 203' ' ' VAL . . . . . 0.642 HG21 ' OG ' ' A' ' 200' ' ' SER . 10.2 m -67.65 -33.77 63.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 204' ' ' GLN . . . . . 0.796 ' HB3' HG11 ' A' ' 168' ' ' VAL . 0.1 OUTLIER -71.65 -47.38 54.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 110.243 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.56 HG13 ' CD1' ' A' ' 230' ' ' TYR . 22.7 mm -39.96 -31.94 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.374 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 206' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 204' ' ' GLN . 0.2 OUTLIER -79.94 -55.11 5.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.087 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 207' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 211' ' ' MET . 35.9 mmt180 -58.21 -30.25 66.34 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.098 . . . . 0.0 110.265 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 208' ' ' LEU . . . . . 0.789 ' O ' HG22 ' A' ' 212' ' ' VAL . 3.8 mm? -79.94 -50.08 10.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 209' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 213' ' ' GLU . 20.1 ttm180 -51.76 -53.36 40.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.444 1.09 . . . . 0.0 110.235 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -65.17 -35.02 79.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 211' ' ' MET . . . . . 0.663 ' HE1' HD23 ' A' ' 161' ' ' LEU . 26.1 mtp -63.62 -50.86 67.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 111.066 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 212' ' ' VAL . . . . . 0.789 HG22 ' O ' ' A' ' 208' ' ' LEU . 21.6 m -79.5 -24.6 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.229 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.745 ' HG2' HG23 ' A' ' 212' ' ' VAL . 2.1 mm-40 -111.27 -147.43 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.617 1.198 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 110.971 -0.434 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.79 -55.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.596 1.185 . . . . 0.0 110.325 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.563 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 79.2 m-85 -95.15 21.43 7.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 222' ' ' ILE . . . . . . . . . . . . . 17.9 mt -152.94 117.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.618 1.199 . . . . 0.0 109.185 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 223' ' ' GLN . . . . . 0.69 ' O ' HG12 ' A' ' 231' ' ' VAL . 2.2 mm-40 -125.33 108.98 12.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 224' ' ' THR . . . . . 0.439 ' C ' ' CG2' ' A' ' 225' ' ' VAL . 1.0 OUTLIER -76.93 153.28 34.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.621 1.201 . . . . 0.0 110.39 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 225' ' ' VAL . . . . . 0.656 HG11 HD12 ' A' ' 228' ' ' LEU . 2.2 t -150.85 116.07 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.437 1.086 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -65.72 -45.92 80.86 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -54.26 -39.06 63.33 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.415 1.072 . . . . 0.0 111.024 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 228' ' ' LEU . . . . . 0.91 HD13 ' CB ' ' A' ' 179' ' ' PRO . 4.8 mt -102.52 -82.86 0.48 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.417 0.716 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 229' ' ' GLY . . . . . 0.593 ' O ' ' CD1' ' A' ' 230' ' ' TYR . . . 175.4 -75.0 0.08 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 230' ' ' TYR . . . . . 0.605 ' CD2' HG21 ' A' ' 201' ' ' ILE . 60.8 m-85 -160.1 122.03 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 110.952 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 231' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 223' ' ' GLN . 9.6 p -119.72 152.7 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 4.9 t80 -119.86 97.53 5.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.583 1.177 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 41.1 t -106.52 104.07 49.05 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.25 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.116 0 O-C-N 124.54 1.811 . . . . 0.0 110.998 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.44 HG12 ' ND2' ' A' ' 146' ' ' ASN . 1.4 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.414 ' N ' HG23 ' A' ' 137' ' ' VAL . 16.2 mm -132.07 108.24 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.542 ' HB2' ' HG2' ' A' ' 144' ' ' LYS . . . -119.8 161.94 19.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 143' ' ' PHE . 4.4 m-85 -126.27 -179.47 4.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 111.065 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -59.29 -15.02 29.06 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.566 1.166 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -138.63 -49.88 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.564 ' HB2' ' CD1' ' A' ' 140' ' ' PHE . 13.0 m-85 -74.07 161.14 30.34 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.537 1.148 . . . . 0.0 111.073 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.542 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 0.1 OUTLIER -150.33 110.18 4.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.89 HD12 ' HG3' ' A' ' 152' ' ' MET . 7.5 tt -119.61 157.34 28.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.44 ' ND2' HG12 ' A' ' 137' ' ' VAL . 0.6 OUTLIER -160.47 117.86 2.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 0.0 109.335 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.765 HD13 ' HG2' ' A' ' 170' ' ' LYS . 22.8 mt -76.79 -45.57 28.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -56.84 -21.73 38.17 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 96.8 m -113.56 -9.31 13.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.766 . . . . 0.0 110.382 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.52 53.55 9.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.464 ' HB3' ' CE1' ' A' ' 153' ' ' PHE . 3.8 mt-10 -152.76 121.04 6.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.419 1.074 . . . . 0.0 110.296 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.89 ' HG3' HD12 ' A' ' 145' ' ' LEU . 1.1 tmt? -125.95 144.9 50.51 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -148.99 150.59 33.09 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.422 1.077 . . . . 0.0 110.932 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 154' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 155' ' ' GLU . 0.8 OUTLIER -119.84 100.21 7.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 110.28 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 155' ' ' GLU . . . . . 0.526 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 0.3 OUTLIER 87.74 -30.95 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 155' ' ' GLU . 0.2 OUTLIER 161.86 -28.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.351 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 157' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 1.1 tp10 -61.1 126.25 85.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.257 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 131.61 14.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 152' ' ' MET . 8.1 mmm -130.93 107.24 15.2 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 111.053 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 157.65 42.44 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.436 1.756 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.557 HD12 ' HB2' ' A' ' 166' ' ' PHE . 0.2 OUTLIER -141.45 103.68 4.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 81.6 m -50.75 164.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 68.6 m -49.12 -53.74 19.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.927 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.654 ' O ' HG23 ' A' ' 168' ' ' VAL . . . -50.49 -57.76 10.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.526 1.141 . . . . 0.0 111.059 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.11 -50.1 70.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.506 0.768 . . . . 0.0 110.255 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 147' ' ' LEU . 1.3 t80 -60.01 -40.8 90.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -65.63 -41.66 92.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 164' ' ' GLY . 72.3 t -63.78 -57.3 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.475 HD13 HD22 ' A' ' 208' ' ' LEU . 0.6 OUTLIER -60.88 -20.25 61.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 170' ' ' LYS . . . . . 0.765 ' HG2' HD13 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -70.81 -59.34 2.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -47.68 -48.98 28.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.606 HD22 ' HB2' ' A' ' 232' ' ' PHE . 1.4 mt -59.32 -46.81 87.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.238 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 169' ' ' LEU . 26.6 t -70.88 -10.94 14.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.228 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 174' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 170' ' ' LYS . 0.1 OUTLIER -91.11 0.03 57.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.962 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 175' ' ' HIS . . . . . 0.452 ' CE1' ' HG2' ' A' ' 178' ' ' GLU . 0.2 OUTLIER -154.66 89.4 3.21 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.6 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 126.69 10.18 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 2.4 ttm105 58.17 46.94 15.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.452 ' HG2' ' CE1' ' A' ' 175' ' ' HIS . 0.9 OUTLIER -147.15 117.07 4.45 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 179' ' ' PRO . . . . . 0.583 ' O ' HD12 ' A' ' 180' ' ' LEU . 18.5 Cg_endo -74.97 146.11 32.39 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.484 1.781 . . . . 0.0 111.087 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 179' ' ' PRO . 0.5 OUTLIER -147.79 119.45 8.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.26 158.81 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.032 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 182' ' ' ARG . . . . . 0.747 ' HG2' HD12 ' A' ' 201' ' ' ILE . 0.1 OUTLIER -59.69 -20.35 55.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.64 -46.9 18.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.4 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -65.08 -52.22 56.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.598 1.186 . . . . 0.0 109.305 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.522 HD13 ' HB2' ' A' ' 230' ' ' TYR . 0.3 OUTLIER -45.78 -51.21 13.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 2.7 tpt -57.02 -59.48 5.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -43.26 -46.7 6.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 1.072 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.438 ' HA ' HD23 ' A' ' 188' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 200' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 202' ' ' ASP . 2.3 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.747 HD12 ' HG2' ' A' ' 182' ' ' ARG . 50.2 mt 65.92 -74.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 202' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 200' ' ' SER . 0.0 OUTLIER -40.28 -31.32 0.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.399 1.062 . . . . 0.0 109.285 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 203' ' ' VAL . . . . . 0.417 ' N ' ' C ' ' A' ' 201' ' ' ILE . 3.4 t -73.22 -55.35 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.589 1.181 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 204' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 201' ' ' ILE . 11.9 mm-40 -63.23 -48.11 79.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.252 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.508 HG22 ' HD2' ' A' ' 209' ' ' ARG . 28.7 mm -46.7 -42.23 5.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.569 1.168 . . . . 0.0 109.368 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 42.4 m -61.96 -41.68 98.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.095 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -73.37 -33.93 65.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.44 1.088 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 208' ' ' LEU . . . . . 0.614 ' O ' HG22 ' A' ' 212' ' ' VAL . 52.0 mt -68.85 -28.23 66.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 209' ' ' ARG . . . . . 0.578 ' CG ' HG21 ' A' ' 222' ' ' ILE . 0.1 OUTLIER -70.13 -57.89 4.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.338 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.15 -15.31 32.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.266 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -79.17 -60.38 2.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 212' ' ' VAL . . . . . 0.986 HG23 ' HG2' ' A' ' 213' ' ' GLU . 31.5 m -76.84 -30.56 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.986 ' HG2' HG23 ' A' ' 212' ' ' VAL . 7.4 mm-40 -141.65 101.38 3.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.155 . . . . 0.0 110.272 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.346 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.941 0 N-CA-C 111.074 -0.395 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 220' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 233' ' ' VAL . 0.1 OUTLIER -162.05 -40.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 110.336 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.533 ' O ' HD13 ' A' ' 222' ' ' ILE . 70.1 m-85 -77.98 9.36 3.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 222' ' ' ILE . . . . . 0.578 HG21 ' CG ' ' A' ' 209' ' ' ARG . 6.5 mm -140.21 108.19 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.39 1.056 . . . . 0.0 109.225 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 223' ' ' GLN . . . . . 0.784 ' O ' HG12 ' A' ' 231' ' ' VAL . 1.5 mt-30 -120.98 85.26 2.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 224' ' ' THR . . . . . 0.781 HG23 ' CD1' ' A' ' 230' ' ' TYR . 51.9 m -80.33 116.09 20.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.426 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 225' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 229' ' ' GLY . 3.8 t -108.43 117.27 53.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -64.02 -50.72 67.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 108.039 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -55.7 -49.94 63.22 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.431 1.082 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 228' ' ' LEU . . . . . 0.438 HD12 ' HB2' ' A' ' 179' ' ' PRO . 2.3 mm? -82.19 -79.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 109.37 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 229' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 176.52 -95.03 0.1 OUTLIER Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.44 1.087 . . . . 0.0 110.978 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 230' ' ' TYR . . . . . 0.781 ' CD1' HG23 ' A' ' 224' ' ' THR . 91.5 m-85 -150.48 116.21 5.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 0.731 . . . . 0.0 111.004 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 231' ' ' VAL . . . . . 0.784 HG12 ' O ' ' A' ' 223' ' ' GLN . 7.6 p -120.01 146.6 24.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.606 ' HB2' HD22 ' A' ' 172' ' ' LEU . 4.7 t80 -119.96 93.83 4.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 233' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 220' ' ' ARG . 97.4 t -101.3 108.16 53.81 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 109.375 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 234' ' ' PRO . . . . . 0.498 ' HA ' ' CD2' ' A' ' 221' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.565 HG12 ' ND2' ' A' ' 146' ' ' ASN . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.753 ' HB ' HD23 ' A' ' 145' ' ' LEU . 4.4 mm -135.91 113.19 14.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.413 ' HB2' ' HG2' ' A' ' 144' ' ' LYS . . . -119.4 163.78 16.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.677 ' CD1' ' N ' ' A' ' 140' ' ' PHE . 0.0 OUTLIER -142.67 -177.8 5.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 111.005 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -34.89 -88.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -103.3 38.82 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.416 0.715 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 154' ' ' ARG . 4.0 t80 -147.11 149.7 33.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.413 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 0.9 OUTLIER -140.8 145.73 36.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.753 HD23 ' HB ' ' A' ' 138' ' ' ILE . 0.2 OUTLIER -156.68 145.07 19.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.565 ' ND2' HG12 ' A' ' 137' ' ' VAL . 0.5 OUTLIER -150.38 118.98 6.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.614 HD11 HD21 ' A' ' 145' ' ' LEU . 1.0 OUTLIER -79.24 -46.6 17.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -56.28 -19.03 23.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.543 1.152 . . . . 0.0 111.076 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' THR . . . . . 0.534 HG22 ' HG3' ' A' ' 151' ' ' GLU . 24.7 m -113.15 -13.84 12.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 110.446 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 53.88 50.31 17.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.534 ' HG3' HG22 ' A' ' 149' ' ' THR . 9.0 mt-10 -144.25 119.21 9.98 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.529 1.143 . . . . 0.0 110.348 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.865 ' HE1' HG12 ' A' ' 212' ' ' VAL . 4.7 ttm -118.6 150.98 38.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.697 ' CD1' ' N ' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -151.56 154.77 37.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 111.051 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 154' ' ' ARG . . . . . 0.575 ' HB2' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -151.59 122.31 7.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 110.305 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 155' ' ' GLU . . . . . 0.424 ' C ' ' N ' ' A' ' 157' ' ' GLU . 2.0 mt-10 72.98 62.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 42.51 28.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.594 1.183 . . . . 0.0 109.339 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 155' ' ' GLU . 19.2 mt-10 -132.98 143.49 48.82 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 159.04 41.91 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.595 1.839 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 152' ' ' MET . 0.1 OUTLIER -160.0 119.17 1.62 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 111.073 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 179.21 6.3 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.541 1.811 . . . . 0.0 111.04 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.529 HD12 ' HB2' ' A' ' 166' ' ' PHE . 0.8 OUTLIER -160.07 120.76 3.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 62.4 m -57.91 167.45 1.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 110.387 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 72.8 m -68.8 -38.78 80.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.587 1.18 . . . . 0.0 109.928 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -54.04 -39.76 64.2 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.115 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 167' ' ' ALA . 0.6 OUTLIER -71.75 -65.94 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 0.785 . . . . 0.0 110.226 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 147' ' ' LEU . 5.7 t80 -40.74 -27.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 165' ' ' GLU . . . -66.16 -63.55 1.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.645 HG12 HD12 ' A' ' 172' ' ' LEU . 19.6 t -70.58 -47.59 63.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 1.009 ' O ' HD22 ' A' ' 169' ' ' LEU . 0.1 OUTLIER -47.93 -36.73 12.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 170' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 174' ' ' SER . 72.3 tttt -79.61 -30.0 41.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.155 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 168' ' ' VAL . . . -72.32 -33.64 67.5 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.544 1.152 . . . . 0.0 109.37 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.813 HD11 HD11 ' A' ' 205' ' ' ILE . 0.2 OUTLIER -77.2 -48.02 18.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.568 HG21 HG13 ' A' ' 138' ' ' ILE . 0.3 OUTLIER -75.78 -10.42 13.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 174' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 170' ' ' LYS . 0.5 OUTLIER -65.98 -33.35 75.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.551 1.157 . . . . 0.0 109.986 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -135.05 94.26 16.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.413 1.071 . . . . 0.0 109.637 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 136.71 20.87 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.488 1.783 . . . . 0.0 110.994 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.24 23.67 9.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.343 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.456 ' C ' HG23 ' A' ' 231' ' ' VAL . 0.0 OUTLIER -132.42 108.87 13.48 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 179' ' ' PRO . . . . . 0.634 ' CB ' HD13 ' A' ' 228' ' ' LEU . 18.4 Cg_endo -75.04 139.37 24.11 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.498 1.789 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 33.0 mt -131.54 145.96 51.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 181' ' ' SER . . . . . 0.653 ' O ' HD12 ' A' ' 185' ' ' LEU . 15.2 p -70.01 149.65 47.47 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 1.11 . . . . 0.0 109.939 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 182' ' ' ARG . . . . . 0.497 HH21 ' HB2' ' A' ' 181' ' ' SER . 0.0 OUTLIER -42.32 -38.86 1.95 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.94 -53.61 12.56 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -44.8 -42.97 8.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.659 HD21 ' HB2' ' A' ' 230' ' ' TYR . 5.0 mp -54.7 -63.77 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.411 1.069 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 16.6 tpt -56.27 -43.35 78.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -59.67 -55.12 38.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.226 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.667 HG21 ' CE2' ' A' ' 230' ' ' TYR . 3.2 mm -95.49 -80.73 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.46 -30.34 0.07 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.394 1.059 . . . . 0.0 109.35 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 203' ' ' VAL . . . . . 0.446 ' N ' ' C ' ' A' ' 201' ' ' ILE . 40.9 t -71.04 -60.2 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.248 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 204' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 207' ' ' ARG . 47.7 mm-40 -64.24 -44.99 90.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.347 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.813 HD11 HD11 ' A' ' 172' ' ' LEU . 6.9 mm -42.41 -48.89 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.221 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.84 -38.11 89.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 109.947 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 207' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 204' ' ' GLN . 10.3 mtt180 -68.23 -52.64 31.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.597 1.185 . . . . 0.0 110.353 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 208' ' ' LEU . . . . . 0.7 ' C ' HD12 ' A' ' 208' ' ' LEU . 0.4 OUTLIER -67.83 -31.5 71.39 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.564 1.165 . . . . 0.0 109.312 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 209' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 205' ' ' ILE . 38.9 ttm180 -62.84 -61.37 2.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.42 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 23.6 ttt-85 -55.35 -24.93 32.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 1.8 ttp -63.62 -56.89 12.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 212' ' ' VAL . . . . . 0.865 HG12 ' HE1' ' A' ' 152' ' ' MET . 21.3 m -79.55 -25.89 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.577 ' HG2' HG23 ' A' ' 212' ' ' VAL . 31.5 mm-40 -109.79 -147.32 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 110.252 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 214' ' ' GLU . . . . . 0.403 ' CG ' ' O ' ' A' ' 213' ' ' GLU . 60.3 mt-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.836 0 N-CA-C 111.017 -0.417 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -156.2 -51.66 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 110.343 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.457 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 22.5 m-85 -96.86 21.39 9.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 222' ' ' ILE . . . . . 0.674 HD11 HD11 ' A' ' 208' ' ' LEU . 7.8 mt -154.79 116.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.416 1.072 . . . . 0.0 109.38 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 223' ' ' GLN . . . . . 0.619 ' O ' HG12 ' A' ' 231' ' ' VAL . 2.1 mt-30 -122.93 95.96 4.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 1.6 m -73.85 143.4 45.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.456 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 225' ' ' VAL . . . . . 0.596 HG22 ' H ' ' A' ' 228' ' ' LEU . 0.2 OUTLIER -149.92 110.41 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 28.8 m95 -55.06 -40.98 70.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 108.003 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -55.38 -21.79 28.17 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.635 1.21 . . . . 0.0 111.046 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 228' ' ' LEU . . . . . 0.634 HD13 ' CB ' ' A' ' 179' ' ' PRO . 23.0 mt -123.95 -81.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.779 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 229' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 172.65 -82.89 0.08 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 230' ' ' TYR . . . . . 0.667 ' CE2' HG21 ' A' ' 201' ' ' ILE . 87.3 m-85 -155.64 123.27 5.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 0.768 . . . . 0.0 111.079 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 231' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 223' ' ' GLN . 1.3 p -119.39 163.39 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.457 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 5.3 t80 -136.43 107.89 6.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 111.023 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 98.2 t -111.97 96.95 36.3 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 234' ' ' PRO . . . . . 0.443 ' HA ' ' CD1' ' A' ' 221' ' ' TYR . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.112 0 O-C-N 124.45 1.763 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.5 HG23 ' N ' ' A' ' 138' ' ' ILE . 1.4 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.663 HG22 ' CE1' ' A' ' 140' ' ' PHE . 2.5 mp -134.99 113.32 15.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.445 1.091 . . . . 0.0 109.217 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.736 ' HB2' ' HG2' ' A' ' 144' ' ' LYS . . . -119.76 159.96 23.52 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.663 ' CE1' HG22 ' A' ' 138' ' ' ILE . 4.4 m-85 -132.34 -177.75 4.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -30.53 -80.96 0.01 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.537 ' C ' ' CD1' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -110.48 46.14 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.599 ' CD1' ' N ' ' A' ' 143' ' ' PHE . 0.6 OUTLIER -146.6 168.22 21.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.393 1.058 . . . . 0.0 110.978 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.736 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -160.17 116.16 2.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.749 HD12 ' HG3' ' A' ' 152' ' ' MET . 1.4 tt -121.87 154.02 37.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.418 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 63.8 t-20 -159.86 118.41 2.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.589 1.181 . . . . 0.0 109.31 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.557 ' HA ' ' CE2' ' A' ' 166' ' ' PHE . 1.3 mp -78.48 -45.87 21.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.365 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -58.12 -19.53 38.94 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.443 1.089 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 15.8 m -112.03 -22.27 11.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 0.718 . . . . 0.0 110.374 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 57.88 45.55 18.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.166 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -143.65 114.51 7.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.374 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.749 ' HG3' HD12 ' A' ' 145' ' ' LEU . 0.0 OUTLIER -123.78 145.65 48.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.61 1.194 . . . . 0.0 111.059 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.428 ' N ' ' HG2' ' A' ' 152' ' ' MET . 0.0 OUTLIER -144.1 172.45 12.87 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 0.0 111.063 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 154' ' ' ARG . . . . . 0.523 ' HG3' ' CD2' ' A' ' 143' ' ' PHE . 0.8 OUTLIER -160.18 122.95 3.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 0.0 110.357 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 53.43 51.04 16.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.24 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 62.73 31.6 16.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 6.3 tt0 -126.02 98.51 33.18 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 147.11 33.5 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.471 1.774 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 159' ' ' MET . . . . . 0.419 ' HA ' ' HD3' ' A' ' 160' ' ' PRO . 0.4 OUTLIER -160.12 135.85 6.03 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.508 1.13 . . . . 0.0 110.951 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 160' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 159' ' ' MET . 18.2 Cg_endo -75.02 -175.89 2.6 Favored 'Trans proline' 0 C--N 1.362 1.244 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 5.0 mt -142.96 109.51 5.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.179 . . . . 0.0 109.29 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 29.6 m -50.52 151.45 2.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.461 1.1 . . . . 0.0 110.342 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 32.9 m -47.61 -31.37 4.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.942 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.739 ' O ' HG23 ' A' ' 168' ' ' VAL . . . -73.81 -53.29 7.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.349 1.031 . . . . 0.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.565 ' HG3' HD21 ' A' ' 208' ' ' LEU . 1.2 mp0 -58.12 -63.47 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 110.307 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.557 ' CE2' ' HA ' ' A' ' 147' ' ' LEU . 6.0 t80 -46.47 -50.77 16.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.088 . . . . 0.0 111.028 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -62.46 -53.36 56.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 164' ' ' GLY . 43.0 t -52.58 -61.04 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.533 1.145 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 1.7 tt -57.5 -35.7 70.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 170' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 174' ' ' SER . 13.3 ttpp -59.44 -37.45 78.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -75.78 -35.17 60.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 109.309 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.626 HD11 ' CD1' ' A' ' 205' ' ' ILE . 1.8 mt -70.74 -57.63 4.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.385 1.053 . . . . 0.0 109.376 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.421 HG21 HD13 ' A' ' 138' ' ' ILE . 0.5 OUTLIER -66.43 -11.77 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.377 1.048 . . . . 0.0 109.208 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 174' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 170' ' ' LYS . 0.4 OUTLIER -71.9 -35.6 69.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.396 1.06 . . . . 0.0 110.019 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -121.36 85.34 42.36 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.619 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 176' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 232' ' ' PHE . 18.5 Cg_endo -74.96 57.76 4.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 111.043 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.445 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 6.3 mtp180 162.8 -49.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.238 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.21 114.3 28.19 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.232 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 179' ' ' PRO . . . . . 0.624 ' HG2' HD22 ' A' ' 228' ' ' LEU . 18.0 Cg_endo -74.99 160.61 39.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.516 HD22 ' HB3' ' A' ' 184' ' ' LYS . 37.9 mt -143.74 140.54 30.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 91.5 p -69.18 156.55 38.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.17 -38.38 17.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.329 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -73.29 -47.75 40.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.374 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 184' ' ' LYS . . . . . 0.516 ' HB3' HD22 ' A' ' 180' ' ' LEU . 6.1 mmtt -61.02 -15.42 31.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.364 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.609 HD21 ' HB2' ' A' ' 230' ' ' TYR . 0.9 OUTLIER -75.87 -64.51 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -66.05 -17.82 64.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -79.9 -60.6 2.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.58 1.175 . . . . 0.0 109.361 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.542 0 O-C-N 124.57 1.169 . . . . 0.0 109.327 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.464 ' CG2' ' CE2' ' A' ' 230' ' ' TYR . 0.8 OUTLIER -43.81 -53.87 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.592 1.182 . . . . 0.0 109.238 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 202' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 201' ' ' ILE . 1.1 t70 -39.99 -69.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 74.9 t -57.42 -55.26 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 204' ' ' GLN . . . . . 0.776 ' O ' HD23 ' A' ' 208' ' ' LEU . 3.1 mt-30 -43.46 -30.86 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.626 ' CD1' HD11 ' A' ' 172' ' ' LEU . 18.2 mm -80.31 -56.18 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 8.1 m -49.13 -43.55 41.67 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 207' ' ' ARG . . . . . 0.412 ' HB2' ' NH1' ' A' ' 207' ' ' ARG . 1.8 ptp180 -72.86 -29.39 63.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 208' ' ' LEU . . . . . 0.776 HD23 ' O ' ' A' ' 204' ' ' GLN . 0.7 OUTLIER -65.98 -30.13 70.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 209' ' ' ARG . . . . . 0.474 HH21 ' HG3' ' A' ' 219' ' ' PRO . 7.1 mtp180 -74.2 -58.99 2.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.29 -26.58 0.83 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.55 1.157 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 43.4 mtp -67.95 -60.66 2.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.378 1.049 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 212' ' ' VAL . . . . . 0.592 ' O ' ' CE2' ' A' ' 143' ' ' PHE . 28.1 m -72.72 -40.8 61.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.207 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.455 ' CD ' HG23 ' A' ' 212' ' ' VAL . 0.0 OUTLIER -135.86 105.92 6.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.594 1.184 . . . . 0.0 110.244 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 219' ' ' PRO . . . . . 0.474 ' HG3' HH21 ' A' ' 209' ' ' ARG . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 111.061 -0.4 . . . . 0.0 111.061 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.61 -60.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.45 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.557 ' O ' ' CD1' ' A' ' 232' ' ' PHE . 30.5 m-85 -91.35 20.59 5.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.098 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 222' ' ' ILE . . . . . 0.571 HG12 ' CE1' ' A' ' 232' ' ' PHE . 21.2 mt -152.49 119.3 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 223' ' ' GLN . . . . . 0.535 ' O ' HG12 ' A' ' 231' ' ' VAL . 4.9 mm-40 -119.62 104.22 10.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 45.3 m -76.13 133.63 40.2 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.397 1.061 . . . . 0.0 110.376 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 225' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 229' ' ' GLY . 0.0 OUTLIER -137.54 107.31 4.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -52.86 -43.21 65.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 108.073 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -59.76 -22.96 58.17 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.456 1.097 . . . . 0.0 110.943 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 228' ' ' LEU . . . . . 0.624 HD22 ' HG2' ' A' ' 179' ' ' PRO . 5.7 mt -117.56 -87.21 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 0.799 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 229' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 173.5 -83.51 0.08 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 230' ' ' TYR . . . . . 0.609 ' HB2' HD21 ' A' ' 185' ' ' LEU . 75.2 m-85 -154.22 119.32 5.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 0.796 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 231' ' ' VAL . . . . . 0.617 HG22 ' H ' ' A' ' 232' ' ' PHE . 9.7 p -119.77 174.53 4.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.572 1.17 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.617 ' H ' HG22 ' A' ' 231' ' ' VAL . 0.7 OUTLIER -128.49 103.9 7.39 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 73.5 t -102.03 107.51 52.84 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.575 1.172 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.215 0 O-C-N 124.453 1.765 . . . . 0.0 111.039 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.683 HG12 ' CG ' ' A' ' 146' ' ' ASN . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.685 HG22 ' CE1' ' A' ' 140' ' ' PHE . 3.7 mp -140.4 113.34 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.606 ' HB2' ' HG2' ' A' ' 144' ' ' LYS . . . -123.47 165.46 17.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.369 1.043 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.685 ' CE1' HG22 ' A' ' 138' ' ' ILE . 6.3 m-85 -143.18 -178.02 5.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 111.077 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.564 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -22.95 -80.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.606 ' HG2' ' CE1' ' A' ' 143' ' ' PHE . 0.3 OUTLIER -114.26 42.82 2.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.606 ' CE1' ' HG2' ' A' ' 142' ' ' LYS . 17.2 m-85 -137.78 163.21 31.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.941 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.606 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -161.05 107.46 1.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.376 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.494 ' CD1' HD11 ' A' ' 161' ' ' LEU . 1.1 tp -120.03 148.01 44.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.683 ' CG ' HG12 ' A' ' 137' ' ' VAL . 54.7 t-20 -152.28 116.59 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.362 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.979 HD13 ' HG2' ' A' ' 170' ' ' LYS . 7.7 mt -79.04 -34.91 43.41 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -57.33 -24.95 53.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.13 . . . . 0.0 111.084 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 16.6 m -119.5 -7.14 10.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.751 . . . . 0.0 110.383 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 52.94 50.82 17.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.364 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -143.92 115.8 8.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.381 1.051 . . . . 0.0 110.37 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.465 ' HB2' ' CD1' ' A' ' 145' ' ' LEU . 13.1 ttt -128.12 143.45 51.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 152' ' ' MET . 0.1 OUTLIER -137.61 169.88 17.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 154' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 154' ' ' ARG . 17.4 ptt85 -154.9 117.7 4.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 57.46 52.23 8.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.248 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 15.7 t0 63.48 23.48 13.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -122.67 99.14 42.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.405 ' HB3' ' CD1' ' A' ' 153' ' ' PHE . 18.3 Cg_endo -74.92 150.79 39.1 Favored 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.423 1.749 . . . . 0.0 111.017 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.07 144.59 10.87 Favored Pre-proline 0 C--N 1.327 -0.405 0 O-C-N 124.436 1.085 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -171.24 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.544 1.813 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.494 HD11 ' CD1' ' A' ' 145' ' ' LEU . 2.0 mt -140.63 128.55 21.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.222 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 56.5 m -72.95 155.18 40.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.363 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 167' ' ' ALA . 0.9 OUTLIER -51.56 -43.18 62.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.979 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.582 ' O ' HG23 ' A' ' 168' ' ' VAL . . . -65.07 -51.39 51.16 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.5 -68.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 0.709 . . . . 0.0 110.297 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.566 ' CE1' HD23 ' A' ' 147' ' ' LEU . 20.0 t80 -43.32 -49.22 6.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 167' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 163' ' ' SER . . . -62.41 -57.93 9.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 164' ' ' GLY . 14.9 t -47.43 -54.61 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.167 . . . . 0.0 109.359 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 170' ' ' LYS . 6.0 tp -61.6 -51.81 66.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 170' ' ' LYS . . . . . 0.979 ' HG2' HD13 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -39.97 -43.71 1.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -62.01 -54.79 36.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.427 1.079 . . . . 0.0 109.289 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.4 HD22 ' HB2' ' A' ' 232' ' ' PHE . 0.4 OUTLIER -57.95 -45.38 86.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.449 HG11 HD11 ' A' ' 138' ' ' ILE . 2.6 t -70.43 -19.93 22.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.441 1.088 . . . . 0.0 109.346 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 174' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 170' ' ' LYS . 30.3 t -81.1 -14.1 58.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 110.068 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.04 86.19 4.92 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.628 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 131.27 14.19 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.553 1.817 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 72.85 11.5 5.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.424 ' N ' HG23 ' A' ' 231' ' ' VAL . 1.9 mm-40 -112.86 99.13 47.4 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 110.219 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 179' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.16 133.73 16.7 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.452 1.764 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.683 ' O ' HD13 ' A' ' 185' ' ' LEU . 5.8 mt -135.47 132.58 37.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 73.6 p -47.26 161.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.459 1.1 . . . . 0.0 110.044 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 182' ' ' ARG . . . . . 0.444 ' CG ' ' HB ' ' A' ' 201' ' ' ILE . 8.4 tmm_? -53.28 -31.55 44.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.98 -56.86 4.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 184' ' ' LYS . . . . . 0.671 ' HB3' HD22 ' A' ' 180' ' ' LEU . 45.8 mmtt -51.98 -25.01 7.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.887 HD23 HD12 ' A' ' 201' ' ' ILE . 0.3 OUTLIER -67.98 -65.82 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.255 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 13.0 ptm -58.6 -21.28 52.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -69.72 -46.22 66.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.618 1.199 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 200' ' ' SER . . . . . 0.473 ' HB3' HG23 ' A' ' 203' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.887 HD12 HD23 ' A' ' 185' ' ' LEU . 16.4 mm -54.0 -65.36 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.58 -53.18 2.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.387 1.055 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 203' ' ' VAL . . . . . 0.473 HG23 ' HB3' ' A' ' 200' ' ' SER . 86.6 t -50.71 -63.17 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.365 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 204' ' ' GLN . . . . . 0.415 ' NE2' ' HA3' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -53.11 -53.97 42.5 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.676 HG22 ' HE ' ' A' ' 209' ' ' ARG . 27.7 mm -41.47 -49.92 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 8.4 t -55.33 -46.65 76.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.077 . . . . 0.0 109.996 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -68.71 -35.61 77.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.428 1.08 . . . . 0.0 110.327 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 208' ' ' LEU . . . . . 0.6 ' O ' HG22 ' A' ' 212' ' ' VAL . 12.7 mt -70.77 -32.05 69.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 209' ' ' ARG . . . . . 0.676 ' HE ' HG22 ' A' ' 205' ' ' ILE . 40.5 mtm180 -65.09 -50.62 65.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.383 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.92 -16.84 63.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 14.9 mtp -78.47 -57.76 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 111.046 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 212' ' ' VAL . . . . . 0.612 HG23 ' HG2' ' A' ' 213' ' ' GLU . 27.0 m -75.75 -28.11 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.365 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.612 ' HG2' HG23 ' A' ' 212' ' ' VAL . 0.6 OUTLIER -123.06 -148.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 110.272 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.948 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.454 -0.843 0 N-CA-C 111.056 -0.401 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 220' ' ' ARG . . . . . 0.45 ' N ' ' OE1' ' A' ' 213' ' ' GLU . 0.1 OUTLIER -143.93 -51.69 0.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 1.144 . . . . 0.0 110.349 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 232' ' ' PHE . 54.0 m-85 -89.64 21.12 3.62 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.591 1.182 . . . . 0.0 111.02 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 222' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 222' ' ' ILE . 26.3 mm -148.05 116.33 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 223' ' ' GLN . . . . . 0.414 ' O ' HG12 ' A' ' 231' ' ' VAL . 1.5 mm-40 -119.79 94.65 4.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 110.353 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 91.3 m -79.05 112.7 16.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.462 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 225' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 229' ' ' GLY . 2.4 t -106.09 95.54 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -60.01 -20.5 58.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 108.045 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -80.58 -19.87 67.51 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 228' ' ' LEU . . . . . 0.415 HD12 HG11 ' A' ' 225' ' ' VAL . 0.7 OUTLIER -125.3 -73.23 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 0.753 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 229' ' ' GLY . . . . . 0.61 ' C ' ' CD1' ' A' ' 230' ' ' TYR . . . -177.58 -102.18 0.15 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.138 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 230' ' ' TYR . . . . . 0.622 ' CE2' HG22 ' A' ' 201' ' ' ILE . 21.0 m-85 -151.89 121.39 6.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 0.772 . . . . 0.0 110.998 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 231' ' ' VAL . . . . . 0.608 HG22 ' H ' ' A' ' 232' ' ' PHE . 9.9 p -119.08 174.02 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.395 1.06 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.608 ' H ' HG22 ' A' ' 231' ' ' VAL . 5.8 t80 -136.77 109.26 7.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 81.2 t -113.49 94.75 33.38 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.141 . . . . 0.0 109.25 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo . . . . . 0 C--N 1.361 1.196 0 O-C-N 124.431 1.753 . . . . 0.0 111.038 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 138' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.668 ' HB ' HD22 ' A' ' 145' ' ' LEU . 3.3 mp -139.41 115.26 8.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.45 1.094 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.542 ' HB2' ' HG2' ' A' ' 144' ' ' LYS . . . -119.8 158.52 26.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.634 ' CD1' ' N ' ' A' ' 140' ' ' PHE . 0.3 OUTLIER -134.11 -177.91 4.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.406 1.066 . . . . 0.0 111.055 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -34.53 -79.88 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.13 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.626 ' C ' ' CD1' ' A' ' 143' ' ' PHE . 27.7 mttp -110.92 49.65 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 0.769 . . . . 0.0 109.206 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.626 ' CD1' ' C ' ' A' ' 142' ' ' LYS . 0.8 OUTLIER -152.52 168.78 24.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.956 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.542 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 0.2 OUTLIER -160.57 116.55 2.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.77 HD21 ' CD2' ' A' ' 147' ' ' LEU . 1.7 tt -123.9 159.42 29.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.639 ' N ' HD23 ' A' ' 145' ' ' LEU . 35.9 t-20 -160.4 114.22 2.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.36 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.77 ' CD2' HD21 ' A' ' 145' ' ' LEU . 7.8 mt -75.98 -41.1 52.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.234 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 148' ' ' GLY . . . . . 0.426 ' N ' ' OD1' ' A' ' 146' ' ' ASN . . . -60.69 -18.62 52.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.542 1.151 . . . . 0.0 111.06 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 75.7 m -117.11 -9.09 11.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.594 0.82 . . . . 0.0 110.447 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 49.61 52.07 15.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.568 1.168 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.95 123.57 6.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.562 ' C ' ' CD1' ' A' ' 153' ' ' PHE . 13.6 ttt -131.0 152.86 49.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.634 1.209 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -143.32 159.88 41.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 111.023 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.59 116.45 5.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 68.48 54.61 0.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 110.241 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 50.42 59.08 4.83 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -152.13 102.11 2.81 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 130.83 13.65 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.464 1.771 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 159' ' ' MET . . . . . 0.403 ' HA ' ' HD3' ' A' ' 160' ' ' PRO . 0.0 OUTLIER -159.48 136.82 7.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 160' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 159' ' ' MET . 18.5 Cg_endo -75.0 -163.49 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.438 1.757 . . . . 0.0 111.058 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.511 HD12 ' HB2' ' A' ' 166' ' ' PHE . 0.3 OUTLIER -160.08 129.91 5.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.584 1.178 . . . . 0.0 109.329 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 4.2 p -43.89 167.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.548 1.155 . . . . 0.0 110.382 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 17.7 m -67.61 -55.22 14.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.983 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -46.17 -47.68 15.48 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.534 1.146 . . . . 0.0 110.971 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.578 ' HB3' HD21 ' A' ' 208' ' ' LEU . 39.5 mt-10 -58.58 -49.18 78.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 0.748 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.511 ' HB2' HD12 ' A' ' 161' ' ' LEU . 4.5 t80 -61.9 -51.32 68.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -54.48 -62.13 1.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 109.208 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.634 ' O ' ' HB3' ' A' ' 171' ' ' ALA . 71.3 t -50.75 -60.21 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.42 1.075 . . . . 0.0 109.35 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.601 HD13 HD22 ' A' ' 208' ' ' LEU . 4.2 tp -48.02 -57.62 5.53 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 170' ' ' LYS . . . . . 0.706 ' CG ' HD13 ' A' ' 147' ' ' LEU . 0.4 OUTLIER -54.04 -35.51 62.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 168' ' ' VAL . . . -60.4 -42.17 95.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.225 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.403 ' CD2' ' HB2' ' A' ' 232' ' ' PHE . 0.3 OUTLIER -76.15 -37.44 57.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.658 HG22 ' CE2' ' A' ' 232' ' ' PHE . 53.8 t -80.09 -0.95 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.423 1.077 . . . . 0.0 109.34 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 174' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 170' ' ' LYS . 0.8 OUTLIER -96.4 -22.25 17.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.944 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -121.89 87.4 46.78 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.586 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 122.93 7.52 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.523 1.802 . . . . 0.0 111.08 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 16.2 ttt-85 63.33 35.04 12.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.33 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -135.83 100.53 10.94 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.345 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 179' ' ' PRO . . . . . 0.458 ' CG ' ' HG ' ' A' ' 228' ' ' LEU . 18.1 Cg_endo -75.03 138.56 23.11 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.553 1.817 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 27.3 mt -143.49 134.14 25.05 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 0.0 109.429 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 181' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 184' ' ' LYS . 45.9 p -59.48 146.4 40.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 182' ' ' ARG . . . . . 0.573 ' HB3' ' CE1' ' A' ' 230' ' ' TYR . 0.0 OUTLIER -44.94 -33.37 1.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 183' ' ' ASP . . . . . 0.525 ' N ' ' CD ' ' A' ' 182' ' ' ARG . 2.9 t70 -64.31 -42.42 96.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 184' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 181' ' ' SER . 0.0 OUTLIER -62.09 -48.66 79.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.68 HD22 HD12 ' A' ' 201' ' ' ILE . 4.0 mp -44.49 -47.47 10.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.22 -52.28 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -48.97 -31.29 7.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 4.4 tp . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.967 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 200' ' ' SER . . . . . 0.423 ' O ' ' CG ' ' A' ' 204' ' ' GLN . 18.7 t . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.68 HD12 HD22 ' A' ' 185' ' ' LEU . 1.4 mm -98.99 -60.99 2.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.9 -33.82 1.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.574 1.171 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 203' ' ' VAL . . . . . 0.424 ' CG1' ' N ' ' A' ' 204' ' ' GLN . 0.4 OUTLIER -80.1 -44.94 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 204' ' ' GLN . . . . . 0.424 ' N ' ' CG1' ' A' ' 203' ' ' VAL . 17.4 mm-40 -57.95 -61.95 2.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.424 ' O ' ' CG ' ' A' ' 209' ' ' ARG . 1.8 pt -49.55 -34.73 8.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 3.3 m -67.58 -38.72 84.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.971 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -80.31 -25.39 39.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.322 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 208' ' ' LEU . . . . . 0.601 HD22 HD13 ' A' ' 169' ' ' LEU . 54.8 mt -77.02 -49.85 14.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 209' ' ' ARG . . . . . 0.495 ' HB3' HD12 ' A' ' 222' ' ' ILE . 0.1 OUTLIER -62.7 -28.63 70.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -36.2 71.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.358 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 1.4 mmm -65.17 -45.68 83.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 111.088 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 212' ' ' VAL . . . . . 0.79 HG23 ' HG2' ' A' ' 213' ' ' GLU . 29.7 m -80.18 -28.51 12.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.375 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.79 ' HG2' HG23 ' A' ' 212' ' ' VAL . 36.6 mm-40 -113.2 -147.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.87 -60.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 110.269 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.48 ' CD2' ' HA ' ' A' ' 234' ' ' PRO . 44.4 m-85 -87.94 21.87 2.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.11 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 222' ' ' ILE . . . . . 0.495 HD12 ' HB3' ' A' ' 209' ' ' ARG . 14.0 mt -150.62 115.91 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.206 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -121.0 91.85 3.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.372 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 224' ' ' THR . . . . . 0.413 ' OG1' ' CD1' ' A' ' 205' ' ' ILE . 98.3 m -72.86 112.42 8.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.484 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 225' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 229' ' ' GLY . 3.0 t -105.08 125.97 60.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 109.366 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -74.21 -34.22 63.63 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -76.79 -19.52 77.61 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 228' ' ' LEU . . . . . 0.479 HD13 ' HA ' ' A' ' 228' ' ' LEU . 0.2 OUTLIER -114.54 -76.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.78 . . . . 0.0 109.249 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 229' ' ' GLY . . . . . 0.572 ' C ' ' CD1' ' A' ' 230' ' ' TYR . . . 162.96 -87.84 0.1 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 230' ' ' TYR . . . . . 0.652 ' CE2' HG22 ' A' ' 201' ' ' ILE . 37.2 m-85 -149.84 118.38 6.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.404 0.708 . . . . 0.0 111.013 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 1.4 p -119.62 155.56 22.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.658 ' CE2' HG22 ' A' ' 173' ' ' VAL . 42.2 t80 -122.59 100.86 7.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 96.3 t -110.96 98.49 38.84 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 109.215 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 234' ' ' PRO . . . . . 0.48 ' HA ' ' CD2' ' A' ' 221' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.451 1.764 . . . . 0.0 110.999 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.684 HG12 ' CG ' ' A' ' 146' ' ' ASN . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.556 HD13 HG11 ' A' ' 173' ' ' VAL . 3.0 mp -146.11 115.14 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.717 ' HB2' ' HG2' ' A' ' 144' ' ' LYS . . . -122.81 159.88 27.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.583 ' O ' ' C ' ' A' ' 141' ' ' GLY . 6.2 m-85 -134.93 -176.77 4.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.583 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -21.14 -83.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.549 1.155 . . . . 0.0 110.992 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.56 31.33 6.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 0.735 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.588 ' CD2' ' HG3' ' A' ' 154' ' ' ARG . 1.9 m-85 -122.66 166.05 15.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.717 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 0.1 OUTLIER -160.78 110.41 1.7 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.459 1.1 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.769 HD12 ' SD ' ' A' ' 152' ' ' MET . 1.4 tt -120.79 151.25 39.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.717 ' N ' HD23 ' A' ' 145' ' ' LEU . 52.9 t-20 -155.54 121.02 4.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.879 HD13 ' HG2' ' A' ' 170' ' ' LYS . 16.1 mt -80.41 -38.01 31.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -57.83 -27.03 58.74 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.539 1.149 . . . . 0.0 111.094 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 61.0 m -113.37 -15.94 12.56 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.514 0.773 . . . . 0.0 110.404 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 150' ' ' ARG . 9.1 ttp-105 57.89 48.78 12.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 1.067 . . . . 0.0 110.247 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -139.93 112.2 7.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 110.251 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.769 ' SD ' HD12 ' A' ' 145' ' ' LEU . 23.4 ttt -121.37 141.23 51.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 111.064 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 144' ' ' LYS . 0.7 OUTLIER -156.89 167.45 30.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 154' ' ' ARG . . . . . 0.588 ' HG3' ' CD2' ' A' ' 143' ' ' PHE . 3.5 ttt180 -156.44 113.29 3.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 67.4 57.97 0.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 15.4 t0 53.48 63.44 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 153' ' ' PHE . 3.6 tp10 -151.94 98.93 2.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.424 ' HA ' ' HB3' ' A' ' 153' ' ' PHE . 18.2 Cg_endo -74.99 121.32 6.51 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.787 . . . . 0.0 110.974 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.61 117.91 21.26 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 154.19 42.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.428 1.752 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.94 137.13 54.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 85.5 m -86.76 156.29 19.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 110.442 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 29.1 p -49.68 -54.24 19.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.036 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.417 ' O ' HG23 ' A' ' 168' ' ' VAL . . . -50.68 -56.39 13.74 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.602 1.189 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.793 ' HB3' HD21 ' A' ' 208' ' ' LEU . 0.9 OUTLIER -60.63 -68.51 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 0.74 . . . . 0.0 110.314 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.575 ' CE1' ' HG3' ' A' ' 170' ' ' LYS . 1.5 t80 -40.67 -42.75 1.79 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.416 1.073 . . . . 0.0 111.016 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -63.99 -44.44 92.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.358 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 165' ' ' GLU . 10.3 t -60.47 -59.93 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 1.7 tp -58.33 -27.42 64.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.174 . . . . 0.0 109.338 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 170' ' ' LYS . . . . . 0.879 ' HG2' HD13 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -60.65 -65.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.394 1.059 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -44.66 -52.58 8.08 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.552 1.157 . . . . 0.0 109.382 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.453 ' CD2' ' HB2' ' A' ' 232' ' ' PHE . 0.3 OUTLIER -55.81 -53.59 54.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.556 HG11 HD13 ' A' ' 138' ' ' ILE . 35.3 t -65.58 -11.32 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 174' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 170' ' ' LYS . 0.6 OUTLIER -83.92 -10.31 58.06 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.394 1.059 . . . . 0.0 110.028 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -151.28 89.97 4.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.619 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 125.34 9.25 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 71.53 42.17 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.254 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -145.44 101.15 4.37 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.462 1.101 . . . . 0.0 110.35 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 179' ' ' PRO . . . . . 0.885 ' CG ' HD13 ' A' ' 228' ' ' LEU . 18.3 Cg_endo -74.99 146.84 33.16 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.492 1.785 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.57 136.8 24.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 181' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 184' ' ' LYS . 5.0 t -52.28 142.71 16.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 182' ' ' ARG . . . . . 0.443 ' NH1' ' HB2' ' A' ' 182' ' ' ARG . 0.0 OUTLIER -47.16 -29.21 2.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.302 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.24 -39.61 71.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.235 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 184' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 181' ' ' SER . 6.4 mmtt -77.13 -14.22 59.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.724 HD12 HG12 ' A' ' 201' ' ' ILE . 0.2 OUTLIER -69.69 -66.77 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 17.2 ptm -60.34 -26.49 66.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.16 -60.71 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.197 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.893 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.724 HG12 HD12 ' A' ' 185' ' ' LEU . 2.9 mp -70.24 -61.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 202' ' ' ASP . . . . . 0.444 ' N ' ' OH ' ' A' ' 230' ' ' TYR . 0.8 OUTLIER -40.61 -35.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 79.8 t -78.77 -46.46 24.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 204' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 201' ' ' ILE . 1.8 mt-30 -60.75 -58.91 6.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.867 HD12 ' CG2' ' A' ' 222' ' ' ILE . 6.8 pt -52.64 -32.53 17.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 109.348 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 206' ' ' SER . . . . . 0.415 ' N ' HG13 ' A' ' 205' ' ' ILE . 1.6 m -67.7 -51.19 52.41 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.438 1.086 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -63.01 -38.63 91.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 208' ' ' LEU . . . . . 0.793 HD21 ' HB3' ' A' ' 165' ' ' GLU . 75.6 mt -66.85 -30.85 71.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.214 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 209' ' ' ARG . . . . . 0.832 HH21 HG21 ' A' ' 212' ' ' VAL . 8.2 mmp_? -80.03 -50.75 9.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.401 1.063 . . . . 0.0 110.27 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -43.58 -34.97 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -54.71 -59.5 4.64 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.55 1.156 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 212' ' ' VAL . . . . . 0.832 HG21 HH21 ' A' ' 209' ' ' ARG . 26.2 m -79.91 -47.05 22.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 109.37 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.434 ' N ' HG23 ' A' ' 212' ' ' VAL . 11.5 mm-40 -90.64 84.82 5.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.221 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.97 0 N-CA-C 111.078 -0.393 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 220' ' ' ARG . . . . . 0.533 ' HG2' ' CE1' ' A' ' 221' ' ' TYR . 7.7 tpm_? -151.65 -71.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.561 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 56.2 m-85 -92.42 20.6 6.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 222' ' ' ILE . . . . . 0.867 ' CG2' HD12 ' A' ' 205' ' ' ILE . 16.0 mm -148.04 117.02 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 223' ' ' GLN . . . . . 0.481 ' O ' HG23 ' A' ' 225' ' ' VAL . 2.5 mm-40 -119.67 92.08 3.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.605 1.19 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 224' ' ' THR . . . . . 0.582 ' OG1' HD11 ' A' ' 205' ' ' ILE . 54.2 m -67.71 112.15 4.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 0.0 110.388 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 225' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 229' ' ' GLY . 37.6 t -112.93 136.65 48.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.374 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -72.72 -71.79 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -40.01 -33.37 0.45 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.417 1.073 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 228' ' ' LEU . . . . . 0.885 HD13 ' CG ' ' A' ' 179' ' ' PRO . 7.2 mt -97.99 -85.05 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.742 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 229' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 161.01 -84.77 0.12 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 230' ' ' TYR . . . . . 0.59 ' CD2' ' HG ' ' A' ' 185' ' ' LEU . 38.5 m-85 -142.23 116.52 9.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 0.731 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -119.63 146.98 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.406 1.066 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 4.4 t80 -119.7 99.33 6.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.52 1.137 . . . . 0.0 111.083 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 76.8 t -108.32 101.86 44.15 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 234' ' ' PRO . . . . . 0.471 ' HA ' ' CD2' ' A' ' 221' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.465 1.771 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.519 ' CG1' ' HB2' ' A' ' 146' ' ' ASN . 1.4 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 145' ' ' LEU . 3.6 mp -123.69 100.89 8.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.568 1.167 . . . . 0.0 109.274 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.763 ' HB2' ' HB2' ' A' ' 144' ' ' LYS . . . -120.32 135.35 55.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.335 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.451 ' CD2' ' CE2' ' A' ' 221' ' ' TYR . 4.2 p90 -157.04 79.99 0.92 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 129.33 -99.37 0.47 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 154' ' ' ARG . 1.2 mptt -133.67 9.93 3.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 0.806 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.92 153.65 48.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.763 ' HB2' ' HB2' ' A' ' 139' ' ' ALA . 0.1 OUTLIER -141.16 138.19 33.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.755 HD13 HD13 ' A' ' 169' ' ' LEU . 0.8 OUTLIER -123.65 132.09 53.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.399 1.062 . . . . 0.0 109.267 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.519 ' HB2' ' CG1' ' A' ' 137' ' ' VAL . 28.8 t-20 -134.21 112.18 10.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 166' ' ' PHE . 15.6 mt -76.34 -41.7 47.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.172 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -54.19 -25.49 32.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.12 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 20.8 m -119.04 -7.16 10.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 0.764 . . . . 0.0 110.401 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 150' ' ' ARG . 0.0 OUTLIER 45.8 53.91 8.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.644 1.215 . . . . 0.0 110.32 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.458 ' HB3' ' CE2' ' A' ' 153' ' ' PHE . 7.3 mm-40 -144.75 116.01 7.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.157 . . . . 0.0 110.297 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.471 ' O ' ' N ' ' A' ' 159' ' ' MET . 8.6 ttt -119.28 144.57 46.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 111.082 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.553 ' CD1' ' N ' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -156.45 151.6 26.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.934 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 154' ' ' ARG . . . . . 0.542 ' O ' ' CB ' ' A' ' 155' ' ' GLU . 0.0 OUTLIER -127.12 103.67 7.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 155' ' ' GLU . . . . . 0.542 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 5.7 tt0 89.2 -32.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.312 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.434 ' CB ' ' O ' ' A' ' 155' ' ' GLU . 0.9 OUTLIER 160.7 -28.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 157' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 1.3 mt-10 -62.45 125.41 85.85 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.389 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.86 147.41 34.56 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.552 1.817 . . . . 0.0 111.036 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' MET . . . . . 0.471 ' N ' ' O ' ' A' ' 152' ' ' MET . 20.0 mtp -140.33 105.11 6.56 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 160' ' ' PRO . . . . . 0.431 ' HA ' HH21 ' A' ' 150' ' ' ARG . 18.3 Cg_endo -74.91 147.13 33.9 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.411 1.743 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 4.5 mt -121.94 132.96 54.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.38 1.05 . . . . 0.0 109.232 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' THR . . . . . 0.512 HG22 ' N ' ' A' ' 163' ' ' SER . 32.7 m -78.38 171.56 14.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.539 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.512 ' N ' HG22 ' A' ' 162' ' ' THR . 57.9 m -56.31 -50.65 70.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 109.945 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.602 ' O ' HG23 ' A' ' 168' ' ' VAL . . . -63.98 -44.98 95.16 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.53 1.144 . . . . 0.0 111.073 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 168' ' ' VAL . 70.4 mt-10 -57.5 -65.97 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.397 0.704 . . . . 0.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.553 ' CE1' ' HG3' ' A' ' 170' ' ' LYS . 2.5 t80 -44.93 -28.18 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 111.071 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -77.46 -41.59 39.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.884 HG22 HD13 ' A' ' 201' ' ' ILE . 71.2 t -62.36 -59.61 4.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.755 HD13 HD13 ' A' ' 145' ' ' LEU . 1.6 mt -58.88 -24.16 61.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 170' ' ' LYS . . . . . 0.553 ' HG3' ' CE1' ' A' ' 166' ' ' PHE . 0.0 OUTLIER -62.3 -67.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.368 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 175' ' ' HIS . . . -50.29 -45.58 54.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.153 . . . . 0.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.567 HD11 ' HB3' ' A' ' 230' ' ' TYR . 1.1 tp -61.22 -43.24 99.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.402 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 169' ' ' LEU . 61.0 t -80.0 -1.7 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.374 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 174' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 170' ' ' LYS . 1.0 OUTLIER -123.47 11.82 9.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 175' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 171' ' ' ALA . 10.4 m-70 -123.17 76.07 51.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.567 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 103.07 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.547 1.814 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.405 ' HB3' ' NH1' ' A' ' 177' ' ' ARG . 16.3 ttm105 56.6 48.37 16.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.343 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.417 ' H ' HG23 ' A' ' 231' ' ' VAL . 1.4 tm-20 -156.0 92.53 2.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 179' ' ' PRO . . . . . 0.573 ' HG2' HD13 ' A' ' 228' ' ' LEU . 18.4 Cg_endo -74.93 144.23 30.25 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.57 1.826 . . . . 0.0 111.045 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 180' ' ' LEU . 2.7 tp -142.74 137.98 30.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.239 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 181' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 184' ' ' LYS . 3.6 m -48.22 137.19 11.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.038 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 182' ' ' ARG . . . . . 0.674 ' HA ' HD13 ' A' ' 185' ' ' LEU . 0.1 OUTLIER -46.33 -26.97 0.92 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -36.69 78.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 184' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 181' ' ' SER . 2.9 mmtm -76.87 -36.7 56.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.387 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.674 HD13 ' HA ' ' A' ' 182' ' ' ARG . 4.9 mp -53.43 -47.22 69.84 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -75.21 -51.71 12.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 111.047 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -52.04 -57.94 8.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 41.1 tp . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.884 HD13 HG22 ' A' ' 168' ' ' VAL . 3.4 mm -55.85 -47.95 78.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.369 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -55.23 37.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 55.8 t -55.17 -59.88 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 204' ' ' GLN . . . . . 0.556 ' O ' HD23 ' A' ' 208' ' ' LEU . 0.0 OUTLIER -50.66 -55.75 15.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.245 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.556 HG13 ' CD2' ' A' ' 230' ' ' TYR . 4.6 mm -44.72 -54.02 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.43 -45.51 18.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.944 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.17 -31.52 70.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 208' ' ' LEU . . . . . 0.621 ' O ' HG22 ' A' ' 212' ' ' VAL . 4.6 mm? -71.45 -29.75 65.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 209' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 213' ' ' GLU . 42.8 mtt180 -66.32 -43.48 86.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -23.32 62.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.345 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 34.3 ttm -70.88 -60.91 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 212' ' ' VAL . . . . . 0.894 HG23 ' HG2' ' A' ' 213' ' ' GLU . 16.0 m -79.96 -32.91 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.894 ' HG2' HG23 ' A' ' 212' ' ' VAL . 3.6 mm-40 -122.28 -148.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.325 -179.956 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.451 -0.98 0 N-CA-C 111.049 -0.404 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -129.02 -54.69 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.58 ' O ' HD13 ' A' ' 222' ' ' ILE . 87.4 m-85 -88.31 21.62 2.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 222' ' ' ILE . . . . . 0.58 HD13 ' O ' ' A' ' 221' ' ' TYR . 17.5 mm -142.43 114.24 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.413 1.07 . . . . 0.0 109.308 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 223' ' ' GLN . . . . . 0.516 ' O ' HG12 ' A' ' 231' ' ' VAL . 1.1 mt-30 -119.52 81.96 1.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.353 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 224' ' ' THR . . . . . 0.444 HG23 ' CD2' ' A' ' 230' ' ' TYR . 41.7 m -86.21 115.14 23.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 225' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 229' ' ' GLY . 0.0 OUTLIER -118.02 99.01 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 109.294 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 1.9 p90 -50.55 -35.07 28.04 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -60.69 -25.47 63.56 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.516 1.135 . . . . 0.0 111.072 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 228' ' ' LEU . . . . . 0.573 HD13 ' HG2' ' A' ' 179' ' ' PRO . 5.4 mt -118.78 -74.16 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 0.775 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 229' ' ' GLY . . . . . 0.55 ' C ' ' CD1' ' A' ' 230' ' ' TYR . . . 179.85 -108.5 0.24 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 230' ' ' TYR . . . . . 0.567 ' HB3' HD11 ' A' ' 172' ' ' LEU . 30.6 m-85 -147.59 115.27 6.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 0.74 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 231' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 223' ' ' GLN . 3.3 p -119.65 161.28 19.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 5.0 t80 -124.68 100.6 6.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 55.1 t -106.66 103.61 47.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.118 0 O-C-N 124.469 1.773 . . . . 0.0 110.997 179.942 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.734 HG12 ' CG ' ' A' ' 146' ' ' ASN . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.867 HG12 HG21 ' A' ' 173' ' ' VAL . 1.9 mp -141.7 111.69 2.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.484 ' CB ' ' HA ' ' A' ' 144' ' ' LYS . . . -124.07 155.05 39.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.58 ' HB2' ' CD1' ' A' ' 143' ' ' PHE . 7.6 m-85 -129.87 -177.97 4.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 111.027 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.508 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -28.06 -81.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.569 1.168 . . . . 0.0 111.067 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.504 ' C ' ' CD1' ' A' ' 143' ' ' PHE . 1.6 mttt -108.59 43.57 1.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 0.726 . . . . 0.0 109.345 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.582 ' CD2' ' HG3' ' A' ' 154' ' ' ARG . 0.7 OUTLIER -144.02 161.77 37.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.484 ' HA ' ' CB ' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -159.93 108.42 1.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.216 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.714 HD12 ' SD ' ' A' ' 152' ' ' MET . 5.2 tt -120.13 157.15 29.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.734 ' CG ' HG12 ' A' ' 137' ' ' VAL . 0.6 OUTLIER -156.96 127.02 6.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.67 ' N ' HD21 ' A' ' 146' ' ' ASN . 2.0 mp -80.06 -49.44 11.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -53.64 -32.12 46.2 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.452 1.095 . . . . 0.0 111.028 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 85.4 m -102.06 -14.11 17.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 0.737 . . . . 0.0 110.401 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 49.08 52.4 14.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 110.381 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.417 ' HB3' ' CE1' ' A' ' 153' ' ' PHE . 27.7 mm-40 -147.64 117.73 7.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.714 ' SD ' HD12 ' A' ' 145' ' ' LEU . 10.2 ttt -125.49 154.93 41.32 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.537 ' CD1' ' O ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -157.89 172.41 18.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 111.0 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 154' ' ' ARG . . . . . 0.582 ' HG3' ' CD2' ' A' ' 143' ' ' PHE . 0.1 OUTLIER -160.14 123.53 3.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.233 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 57.66 50.81 10.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 2.2 t0 62.2 23.7 14.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.419 1.075 . . . . 0.0 109.236 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 157' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 3.1 tm-20 -110.43 103.21 53.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.22 21.4 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.542 1.812 . . . . 0.0 110.93 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 1.5 ptm -160.0 127.82 2.79 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -164.56 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 111.016 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.571 HD11 ' CD1' ' A' ' 145' ' ' LEU . 6.0 mt -143.68 138.54 28.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 162' ' ' THR . . . . . 0.46 HG22 ' H ' ' A' ' 164' ' ' GLY . 31.0 m -75.0 149.23 39.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.541 1.151 . . . . 0.0 110.372 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 50.0 m -45.41 -37.27 4.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.93 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.916 ' O ' HG23 ' A' ' 168' ' ' VAL . . . -72.6 -52.01 10.89 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.556 1.16 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 204' ' ' GLN . 0.1 OUTLIER -55.97 -64.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 0.757 . . . . 0.0 110.324 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.526 ' CE2' ' HA ' ' A' ' 147' ' ' LEU . 5.3 t80 -43.87 -50.71 7.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -59.99 -49.38 77.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.916 HG23 ' O ' ' A' ' 164' ' ' GLY . 79.6 t -57.08 -61.49 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.388 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.626 ' HB2' HD13 ' A' ' 208' ' ' LEU . 5.0 tt -58.74 -19.7 42.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 170' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 174' ' ' SER . 22.4 tttt -79.89 -55.19 5.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.076 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.648 ' HA ' HD22 ' A' ' 188' ' ' LEU . . . -61.23 -26.29 67.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.802 HD22 ' HB2' ' A' ' 232' ' ' PHE . 2.3 mt -79.92 -50.69 10.09 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.867 HG21 HG12 ' A' ' 138' ' ' ILE . 0.6 OUTLIER -78.1 0.12 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.344 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 174' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 170' ' ' LYS . 7.4 m -95.95 -22.68 17.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.609 1.193 . . . . 0.0 109.942 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 175' ' ' HIS . . . . . 0.419 ' NE2' ' OE2' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -121.03 89.63 46.31 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.609 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.14 120.02 5.85 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.466 1.771 . . . . 0.0 110.958 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 62.39 31.09 17.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.419 ' OE2' ' NE2' ' A' ' 175' ' ' HIS . 0.2 OUTLIER -131.72 88.61 41.97 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 110.276 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 179' ' ' PRO . . . . . 0.474 ' HG2' HD12 ' A' ' 228' ' ' LEU . 18.4 Cg_endo -74.92 138.94 23.9 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.515 1.797 . . . . 0.0 111.042 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.802 HD22 ' HG3' ' A' ' 184' ' ' LYS . 6.4 mt -142.53 165.77 26.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.178 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.17 154.75 33.83 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.431 1.082 . . . . 0.0 109.989 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 182' ' ' ARG . . . . . 0.504 ' HG3' ' CE1' ' A' ' 230' ' ' TYR . 0.0 OUTLIER -51.47 -33.03 29.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.285 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -68.67 -48.81 62.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.181 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 184' ' ' LYS . . . . . 0.802 ' HG3' HD22 ' A' ' 180' ' ' LEU . 2.4 mmtt -52.65 -35.6 55.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.243 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.764 HD22 HD12 ' A' ' 201' ' ' ILE . 5.4 mp -57.63 -64.47 0.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 21.7 ptm -62.24 -24.33 67.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 111.044 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.76 -32.72 52.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.648 HD22 ' HA ' ' A' ' 171' ' ' ALA . 3.8 tt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 200' ' ' SER . . . . . 0.503 ' O ' ' CG ' ' A' ' 204' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.764 HD12 HD22 ' A' ' 185' ' ' LEU . 2.8 mm -80.83 -71.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -44.15 -28.74 0.53 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.438 1.086 . . . . 0.0 109.2 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 203' ' ' VAL . . . . . 0.413 ' N ' ' C ' ' A' ' 201' ' ' ILE . 66.7 t -80.08 -55.85 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.215 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 204' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 200' ' ' SER . 14.3 mm-40 -50.24 -58.51 5.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 205' ' ' ILE . . . . . . . . . . . . . 4.4 pt -48.57 -26.99 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.29 -36.52 58.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 207' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 204' ' ' GLN . 67.1 mtt180 -79.12 -34.22 43.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.382 1.051 . . . . 0.0 110.33 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 208' ' ' LEU . . . . . 0.626 HD13 ' HB2' ' A' ' 169' ' ' LEU . 17.0 mt -72.1 -31.81 66.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.587 1.179 . . . . 0.0 109.259 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 209' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 213' ' ' GLU . 3.9 mmp_? -72.92 -43.87 61.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.386 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -69.08 -17.82 63.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.345 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 1.5 ttp -75.11 -62.56 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 111.044 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 212' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 208' ' ' LEU . 6.5 m -81.08 -34.46 13.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 209' ' ' ARG . 17.0 mm-40 -115.12 88.61 2.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.339 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.957 0 N-CA-C 110.961 -0.438 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 220' ' ' ARG . . . . . 0.583 ' HG2' ' CE1' ' A' ' 221' ' ' TYR . 0.0 OUTLIER -179.78 -67.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.736 ' O ' HD13 ' A' ' 222' ' ' ILE . 42.1 m-85 -88.49 21.14 3.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 222' ' ' ILE . . . . . 0.736 HD13 ' O ' ' A' ' 221' ' ' TYR . 18.9 mm -143.71 117.34 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.387 1.055 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -119.21 88.76 2.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.417 1.073 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 33.5 m -83.31 113.16 20.51 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.453 1.096 . . . . 0.0 110.364 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 225' ' ' VAL . . . . . 0.47 HG23 ' H ' ' A' ' 229' ' ' GLY . 35.0 m -125.36 119.3 55.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -67.0 -33.1 74.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.614 1.197 . . . . 0.0 108.038 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -59.1 -21.9 54.2 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.4 1.063 . . . . 0.0 111.018 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 228' ' ' LEU . . . . . 0.474 HD12 ' HG2' ' A' ' 179' ' ' PRO . 0.2 OUTLIER -128.53 -76.64 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 0.71 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 229' ' ' GLY . . . . . 0.47 ' H ' HG23 ' A' ' 225' ' ' VAL . . . 176.67 -115.91 0.53 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.432 1.083 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 230' ' ' TYR . . . . . 0.575 ' HB2' HD11 ' A' ' 185' ' ' LEU . 11.7 m-85 -136.06 114.53 11.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.363 0.684 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 3.1 p -119.47 156.25 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.802 ' HB2' HD22 ' A' ' 172' ' ' LEU . 30.0 t80 -119.81 98.77 6.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 111.081 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 73.2 t -106.04 104.35 49.03 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.371 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.12 0 O-C-N 124.558 1.82 . . . . 0.0 110.952 -179.921 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.924 ' O ' HD13 ' A' ' 138' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.924 HD13 ' O ' ' A' ' 137' ' ' VAL . 1.4 mm -134.93 107.15 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.494 ' CB ' ' HA ' ' A' ' 144' ' ' LYS . . . -129.87 156.41 44.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 109.239 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.638 ' HE1' HG22 ' A' ' 138' ' ' ILE . 0.9 OUTLIER -135.6 79.26 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 57.2 -82.52 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.416 1.073 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 140' ' ' PHE . 0.0 OUTLIER -78.22 -41.62 33.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 109.331 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 212' ' ' VAL . 56.5 m-85 -73.86 162.43 29.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.037 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.494 ' HA ' ' CB ' ' A' ' 139' ' ' ALA . 2.3 ptpp? -160.39 105.28 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.859 HD12 ' H ' ' A' ' 146' ' ' ASN . 0.1 OUTLIER -122.91 159.95 27.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.386 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.859 ' H ' HD12 ' A' ' 145' ' ' LEU . 64.7 t-20 -160.23 122.52 3.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.221 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.619 HD12 HD11 ' A' ' 145' ' ' LEU . 8.6 mp -83.97 -44.26 14.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.219 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -60.02 -13.69 28.12 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 33.6 m -114.6 -33.83 5.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.406 0.71 . . . . 0.0 110.328 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 6.4 ttp85 74.43 42.94 0.29 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.383 1.052 . . . . 0.0 110.329 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -150.41 120.7 7.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.522 ' C ' ' CD1' ' A' ' 153' ' ' PHE . 10.2 ttt -128.49 142.82 50.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 111.038 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.522 ' CD1' ' C ' ' A' ' 152' ' ' MET . 0.2 OUTLIER -134.47 169.27 17.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 111.042 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 154' ' ' ARG . . . . . 0.41 ' HG3' ' CE1' ' A' ' 143' ' ' PHE . 1.3 tmt_? -148.56 115.85 6.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.351 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 51.87 62.25 2.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 54.25 61.23 3.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 157' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -152.29 102.6 2.77 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.506 1.129 . . . . 0.0 110.375 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.413 ' HA ' ' CD1' ' A' ' 153' ' ' PHE . 18.1 Cg_endo -75.03 125.34 9.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 110.949 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 6.9 ptm -145.9 130.16 8.72 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 110.948 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -179.74 5.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.538 1.809 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.416 HD11 ' HB3' ' A' ' 152' ' ' MET . 3.3 mp -135.49 118.98 16.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 162' ' ' THR . . . . . 0.615 HG22 ' H ' ' A' ' 164' ' ' GLY . 19.5 m -53.55 142.62 22.03 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.123 . . . . 0.0 110.409 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.5 p -44.67 -30.28 0.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 110.013 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 164' ' ' GLY . . . . . 0.615 ' H ' HG22 ' A' ' 162' ' ' THR . . . -74.1 -41.64 38.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 111.042 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.646 ' HA ' HD21 ' A' ' 208' ' ' LEU . 31.7 mt-10 -62.04 -70.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 0.744 . . . . 0.0 110.314 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.593 ' CE2' ' HA ' ' A' ' 147' ' ' LEU . 4.1 t80 -40.88 -46.0 2.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.933 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -58.68 -61.73 2.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.674 HG22 HD11 ' A' ' 201' ' ' ILE . 41.6 t -55.06 -55.68 14.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 5.1 tt -49.35 -50.64 39.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 170' ' ' LYS . . . . . 0.585 ' HA ' HG12 ' A' ' 173' ' ' VAL . 14.8 tmtt? -53.83 -41.86 67.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 109.274 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 185' ' ' LEU . . . -65.27 -30.02 70.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.646 HD11 ' CD1' ' A' ' 205' ' ' ILE . 1.4 mt -80.28 -50.11 10.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.585 HG12 ' HA ' ' A' ' 170' ' ' LYS . 1.1 p -78.11 -0.15 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.218 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 174' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 170' ' ' LYS . 0.5 OUTLIER -73.44 -24.9 60.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 175' ' ' HIS . . . . . 0.426 ' HB2' HD11 ' A' ' 180' ' ' LEU . 0.1 OUTLIER -146.89 95.7 4.44 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.565 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 176' ' ' PRO . . . . . 0.456 ' O ' ' CB ' ' A' ' 177' ' ' ARG . 18.2 Cg_endo -75.01 138.06 22.5 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.47 1.774 . . . . 0.0 111.043 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.456 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 4.7 ttm180 80.87 -55.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -70.71 115.18 33.02 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.62 1.2 . . . . 0.0 110.259 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 179' ' ' PRO . . . . . 0.403 ' HA ' ' HB ' ' A' ' 231' ' ' VAL . 18.0 Cg_endo -75.08 155.01 42.52 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.552 1.817 . . . . 0.0 110.948 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.599 HD13 ' CD1' ' A' ' 188' ' ' LEU . 49.3 mt -132.71 161.96 32.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 181' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 184' ' ' LYS . 28.2 p -84.13 150.09 25.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 182' ' ' ARG . . . . . 0.46 ' HA ' HD13 ' A' ' 185' ' ' LEU . 0.3 OUTLIER -47.65 -34.66 8.34 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 183' ' ' ASP . . . . . 0.43 ' O ' ' ND2' ' A' ' 187' ' ' ASN . 91.9 m-20 -70.04 -36.15 74.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.426 1.079 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 184' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 181' ' ' SER . 0.0 OUTLIER -79.82 -8.76 59.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.582 HD22 HD12 ' A' ' 201' ' ' ILE . 0.1 OUTLIER -78.34 -61.97 1.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -30.95 69.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 187' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 183' ' ' ASP . 52.8 m-20 -63.25 -54.76 32.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.599 ' CD1' HD13 ' A' ' 180' ' ' LEU . 11.5 mt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.368 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.674 HD11 HG22 ' A' ' 168' ' ' VAL . 0.3 OUTLIER -42.49 -49.79 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 202' ' ' ASP . . . . . 0.409 ' N ' HG22 ' A' ' 201' ' ' ILE . 6.8 t70 -49.29 -55.45 12.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.368 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 85.3 t -61.45 -51.6 70.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.308 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 204' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -49.55 -51.6 35.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.646 ' CD1' HD11 ' A' ' 172' ' ' LEU . 4.6 mm -48.46 -48.78 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 2.1 t -56.55 -37.67 70.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.17 -19.62 46.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 208' ' ' LEU . . . . . 0.646 HD21 ' HA ' ' A' ' 165' ' ' GLU . 5.7 mt -80.47 -53.47 6.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.586 1.179 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 209' ' ' ARG . . . . . 0.511 ' HB3' HG21 ' A' ' 222' ' ' ILE . 0.0 OUTLIER -59.07 -37.25 76.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.372 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -34.68 76.45 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.448 1.093 . . . . 0.0 110.351 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 211' ' ' MET . . . . . 0.403 ' CE ' ' OE1' ' A' ' 165' ' ' GLU . 11.3 mtp -70.63 -53.46 15.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 212' ' ' VAL . . . . . 0.597 ' O ' ' CE1' ' A' ' 143' ' ' PHE . 25.7 m -72.05 -49.54 43.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.477 ' N ' HG23 ' A' ' 212' ' ' VAL . 1.8 mt-10 -105.58 89.43 3.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.543 1.152 . . . . 0.0 110.253 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.599 1.187 . . . . 0.0 110.292 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.833 0 N-CA-C 110.952 -0.441 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -167.22 -55.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.252 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 232' ' ' PHE . 96.2 m-85 -89.53 21.45 3.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 222' ' ' ILE . . . . . 0.511 HG21 ' HB3' ' A' ' 209' ' ' ARG . 8.6 mm -142.53 110.1 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.404 1.065 . . . . 0.0 109.266 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 223' ' ' GLN . . . . . 0.642 ' O ' HG12 ' A' ' 231' ' ' VAL . 48.3 mm-40 -120.73 121.51 38.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 110.249 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 224' ' ' THR . . . . . 0.48 ' O ' HG13 ' A' ' 225' ' ' VAL . 13.3 t -100.8 166.94 10.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 225' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 224' ' ' THR . 0.0 OUTLIER -160.44 108.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.232 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -53.4 -46.32 69.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.004 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -54.35 -22.16 22.09 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.534 1.147 . . . . 0.0 110.988 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 228' ' ' LEU . . . . . 0.435 ' HA ' HD13 ' A' ' 228' ' ' LEU . 1.4 mm? -121.35 -88.78 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 0.782 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 229' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . -175.94 -87.23 0.07 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.121 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 230' ' ' TYR . . . . . 0.535 ' HB2' HD11 ' A' ' 185' ' ' LEU . 53.5 m-85 -152.47 121.08 6.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 231' ' ' VAL . . . . . 0.642 HG12 ' O ' ' A' ' 223' ' ' GLN . 7.2 p -119.53 168.83 11.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 221' ' ' TYR . 5.0 t80 -120.38 97.56 5.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 60.1 t -110.86 112.25 56.01 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.105 0 O-C-N 124.559 1.821 . . . . 0.0 110.981 -179.918 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.519 HG12 ' CG ' ' A' ' 146' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.887 HG13 HG21 ' A' ' 173' ' ' VAL . 28.9 mm -123.17 104.11 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.488 ' CB ' ' HA ' ' A' ' 144' ' ' LYS . . . -120.0 151.65 38.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.687 ' CE1' HG22 ' A' ' 138' ' ' ILE . 3.5 m-85 -125.58 -178.13 4.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -32.91 -87.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.449 1.093 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.568 ' C ' ' CD1' ' A' ' 143' ' ' PHE . 0.3 OUTLIER -98.14 43.73 1.06 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.445 0.732 . . . . 0.0 109.344 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.61 ' CD1' ' N ' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -148.73 166.36 28.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.488 ' HA ' ' CB ' ' A' ' 139' ' ' ALA . 0.1 OUTLIER -160.4 108.91 1.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 109.357 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.873 HD12 ' H ' ' A' ' 146' ' ' ASN . 0.1 OUTLIER -120.47 162.04 20.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 0.0 109.253 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.873 ' H ' HD12 ' A' ' 145' ' ' LEU . 56.8 t-20 -155.85 118.41 4.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.634 HD23 ' CE1' ' A' ' 166' ' ' PHE . 5.5 mp -82.34 -22.97 35.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -80.38 9.62 47.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' THR . . . . . 0.577 HG22 ' HB3' ' A' ' 146' ' ' ASN . 0.7 OUTLIER -144.97 -37.82 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 0.787 . . . . 0.0 110.275 -179.898 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 149' ' ' THR . 1.2 mtt180 83.14 43.87 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 153' ' ' PHE . 6.4 mt-10 -137.48 115.18 11.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 159' ' ' MET . 0.2 OUTLIER -119.3 145.24 46.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 110.982 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -150.3 149.9 30.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 154' ' ' ARG . . . . . 0.562 ' HG3' ' CD2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -145.77 123.17 11.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.089 . . . . 0.0 110.32 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 155' ' ' GLU . . . . . 0.409 ' C ' ' N ' ' A' ' 157' ' ' GLU . 3.0 tt0 72.18 58.88 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 5.5 t0 45.7 25.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 155' ' ' GLU . 0.2 OUTLIER -125.73 137.96 31.03 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.12 43.05 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.437 1.756 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 159' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 152' ' ' MET . 7.5 tpp -160.23 108.97 1.39 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 178.79 6.81 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.385 1.729 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -159.74 123.74 3.77 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.62 1.2 . . . . 0.0 109.237 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 162' ' ' THR . . . . . 0.4 ' OG1' ' N ' ' A' ' 163' ' ' SER . 4.2 t -64.77 176.08 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.36 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 163' ' ' SER . . . . . 0.4 ' N ' ' OG1' ' A' ' 162' ' ' THR . 19.3 m -66.15 -29.43 69.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.589 1.18 . . . . 0.0 110.051 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -62.79 -53.79 38.37 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.525 1.14 . . . . 0.0 110.958 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -55.58 -64.41 0.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.626 0.839 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.634 ' CE1' HD23 ' A' ' 147' ' ' LEU . 3.0 t80 -46.17 -41.76 13.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -55.55 -64.13 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.424 HG13 ' CD1' ' A' ' 201' ' ' ILE . 89.8 t -61.1 -53.91 42.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.571 HD21 HD21 ' A' ' 145' ' ' LEU . 1.3 tt -47.95 -59.14 3.57 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.405 1.066 . . . . 0.0 109.247 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 170' ' ' LYS . . . . . 0.722 ' HA ' HG12 ' A' ' 173' ' ' VAL . 0.0 OUTLIER -49.46 -44.03 45.48 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.582 1.177 . . . . 0.0 109.291 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -63.78 -30.56 71.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.393 1.058 . . . . 0.0 109.351 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.72 HD11 ' CD1' ' A' ' 205' ' ' ILE . 0.3 OUTLIER -79.03 -49.98 11.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.887 HG21 HG13 ' A' ' 138' ' ' ILE . 7.5 p -71.9 -6.53 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.605 1.19 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 41.4 t -61.97 -44.62 96.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.604 1.19 . . . . 0.0 110.004 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -123.72 88.77 51.87 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.604 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 176' ' ' PRO . . . . . 0.422 ' O ' ' CB ' ' A' ' 177' ' ' ARG . 18.3 Cg_endo -75.03 64.96 6.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.463 1.77 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.422 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 0.0 OUTLIER 163.73 -53.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -76.26 130.29 77.98 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.075 . . . . 0.0 110.372 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 179' ' ' PRO . . . . . 0.778 ' C ' HD22 ' A' ' 180' ' ' LEU . 18.4 Cg_endo -75.05 165.21 31.72 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.778 HD22 ' C ' ' A' ' 179' ' ' PRO . 3.8 mm? -137.76 172.1 13.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.565 1.166 . . . . 0.0 109.25 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 181' ' ' SER . . . . . 0.554 ' O ' HD12 ' A' ' 185' ' ' LEU . 39.8 p -108.69 141.96 39.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.03 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -41.75 -32.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 110.253 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -76.67 -56.67 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.409 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -53.67 -28.29 32.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.358 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.584 HD21 ' HB2' ' A' ' 230' ' ' TYR . 1.3 mp -63.23 -65.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.279 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 16.8 ptm -59.35 -25.75 64.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.981 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -63.69 -51.7 63.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.388 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.479 ' CD1' ' HB3' ' A' ' 185' ' ' LEU . 3.8 mm -63.75 -65.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.88 -28.91 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 203' ' ' VAL . . . . . 0.436 ' N ' ' C ' ' A' ' 201' ' ' ILE . 25.3 t -80.22 -52.93 13.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 204' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -60.42 -45.37 93.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.72 ' CD1' HD11 ' A' ' 172' ' ' LEU . 19.0 mm -46.51 -56.47 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 206' ' ' SER . . . . . 0.455 ' O ' ' CB ' ' A' ' 210' ' ' ARG . 40.0 t -51.45 -36.35 43.63 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.404 1.065 . . . . 0.0 110.056 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 207' ' ' ARG . . . . . 0.412 ' NH1' ' NH1' ' A' ' 210' ' ' ARG . 14.2 mmt180 -75.63 -26.39 57.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.388 1.055 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 62.5 mt -79.01 -47.36 16.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 209' ' ' ARG . . . . . 0.75 ' HB3' HG21 ' A' ' 222' ' ' ILE . 0.0 OUTLIER -71.49 -33.46 69.28 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 210' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 206' ' ' SER . 1.4 tmt_? -71.55 -27.09 62.92 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.535 1.147 . . . . 0.0 110.235 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -59.78 2.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 212' ' ' VAL . . . . . . . . . . . . . 25.4 m -77.15 -45.08 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -108.23 91.45 3.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 0.0 110.345 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.172 . . . . 0.0 110.283 -179.926 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.903 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -173.66 -73.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.39 1.057 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.551 ' CD2' ' HA ' ' A' ' 234' ' ' PRO . 90.3 m-85 -89.86 21.9 3.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 222' ' ' ILE . . . . . 0.75 HG21 ' HB3' ' A' ' 209' ' ' ARG . 15.9 mm -144.58 113.73 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 223' ' ' GLN . . . . . 0.565 ' O ' HG23 ' A' ' 225' ' ' VAL . 3.3 mm100 -120.38 90.12 3.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 224' ' ' THR . . . . . 0.429 HG23 ' CE1' ' A' ' 230' ' ' TYR . 94.9 m -65.87 113.29 4.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.355 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 225' ' ' VAL . . . . . 0.59 HG11 HD12 ' A' ' 228' ' ' LEU . 17.3 t -113.49 109.55 28.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.401 1.063 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -60.31 -49.04 79.19 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -53.26 -37.44 54.95 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 228' ' ' LEU . . . . . 0.59 HD12 HG11 ' A' ' 225' ' ' VAL . 2.9 mt -103.68 -88.23 0.42 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.46 0.741 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 229' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . -178.53 -78.78 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.085 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 230' ' ' TYR . . . . . 0.584 ' HB2' HD21 ' A' ' 185' ' ' LEU . 88.7 m-85 -160.15 123.48 3.52 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.5 0.765 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 231' ' ' VAL . . . . . 0.442 HG13 ' HB2' ' A' ' 223' ' ' GLN . 14.6 p -119.61 156.55 22.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.545 ' CD1' ' O ' ' A' ' 221' ' ' TYR . 15.1 t80 -120.87 98.48 6.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.09 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 16.3 t -103.85 106.28 52.01 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 234' ' ' PRO . . . . . 0.551 ' HA ' ' CD2' ' A' ' 221' ' ' TYR . 17.9 Cg_endo . . . . . 0 C--N 1.362 1.246 0 O-C-N 124.564 1.823 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.727 HG23 ' N ' ' A' ' 138' ' ' ILE . 1.2 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.727 ' N ' HG23 ' A' ' 137' ' ' VAL . 8.7 mm -140.01 114.38 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.575 1.172 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.495 ' CB ' ' HA ' ' A' ' 144' ' ' LYS . . . -135.53 156.53 48.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.836 ' CZ ' ' CD1' ' A' ' 143' ' ' PHE . 12.2 p90 -159.24 118.17 2.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 111.096 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 74.11 -93.31 0.77 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.046 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -125.48 1.76 7.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.836 ' CD1' ' CZ ' ' A' ' 140' ' ' PHE . 2.4 t80 -101.14 131.49 47.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.073 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.575 ' HD2' ' CE2' ' A' ' 153' ' ' PHE . 9.1 ptpt -131.32 140.55 49.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 109.232 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.815 HD21 HD11 ' A' ' 147' ' ' LEU . 0.2 OUTLIER -144.35 141.46 29.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 150' ' ' ARG . 0.9 OUTLIER -144.01 114.46 7.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.815 HD11 HD21 ' A' ' 145' ' ' LEU . 0.5 OUTLIER -72.8 -47.63 44.89 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -51.34 -26.68 14.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 110.941 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 35.2 m -110.44 -14.11 14.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.399 0.705 . . . . 0.0 110.4 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 150' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 146' ' ' ASN . 29.5 ttp180 54.03 49.69 18.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 0.0 110.25 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -149.13 120.31 7.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.0 110.269 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.628 ' SD ' HD11 ' A' ' 161' ' ' LEU . 16.1 ptm -136.44 140.58 43.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.575 ' CE2' ' HD2' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -135.9 173.45 11.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.392 1.058 . . . . 0.0 110.969 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -154.52 102.78 2.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.072 . . . . 0.0 110.289 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 59.35 69.12 0.74 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 53.23 63.43 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 157' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 20.7 mt-10 -153.98 79.34 5.19 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.585 1.178 . . . . 0.0 110.301 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 158' ' ' PRO . . . . . 0.455 ' HA ' ' CD1' ' A' ' 153' ' ' PHE . 18.2 Cg_endo -75.07 126.97 10.27 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.554 1.818 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 159' ' ' MET . . . . . 0.415 ' HG3' ' O ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -154.39 135.88 9.06 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.5 1.125 . . . . 0.0 110.926 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 160' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 159' ' ' MET . 18.2 Cg_endo -74.91 -165.95 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.41 1.742 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 161' ' ' LEU . . . . . 0.628 HD11 ' SD ' ' A' ' 152' ' ' MET . 12.1 mt -140.78 152.92 45.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 24.6 m -79.71 166.5 21.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 2.2 m -59.71 -58.05 10.27 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -66.03 -30.53 77.15 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.565 1.166 . . . . 0.0 110.974 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 165' ' ' GLU . . . . . 0.669 ' HB3' HD21 ' A' ' 208' ' ' LEU . 96.0 mt-10 -67.79 -73.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 110.335 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 166' ' ' PHE . . . . . 0.575 ' C ' ' CD1' ' A' ' 166' ' ' PHE . 0.3 OUTLIER -39.65 -35.02 0.28 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.617 1.198 . . . . 0.0 110.993 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -70.57 -58.82 3.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.566 HG13 ' CD2' ' A' ' 185' ' ' LEU . 9.5 t -54.28 -39.55 44.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 0.558 HD22 HD11 ' A' ' 145' ' ' LEU . 0.7 OUTLIER -69.91 -22.34 63.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 170' ' ' LYS . . . . . 0.6 ' HG3' HD23 ' A' ' 147' ' ' LEU . 10.9 tmtt? -77.1 -52.5 9.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.409 1.068 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.582 ' HB2' HD22 ' A' ' 188' ' ' LEU . . . -58.83 -32.48 69.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.593 HD22 ' HB2' ' A' ' 232' ' ' PHE . 0.9 OUTLIER -74.95 -52.1 12.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.534 HG12 ' HA ' ' A' ' 170' ' ' LYS . 0.8 OUTLIER -70.9 -7.87 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.252 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 174' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 170' ' ' LYS . 35.4 t -73.06 -14.63 61.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.96 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -152.74 80.12 5.68 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 109.613 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 58.24 4.84 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.458 1.768 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 15.4 ttt85 176.88 -41.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.614 1.196 . . . . 0.0 110.259 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -93.27 137.4 23.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.348 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 179' ' ' PRO . . . . . 0.563 ' O ' HD22 ' A' ' 180' ' ' LEU . 18.3 Cg_endo -75.01 159.98 40.67 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.525 1.803 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.594 HD12 ' HB3' ' A' ' 184' ' ' LYS . 1.2 mm? -136.89 139.3 41.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 181' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 184' ' ' LYS . 0.3 OUTLIER -79.37 140.11 37.56 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.512 1.133 . . . . 0.0 109.949 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 182' ' ' ARG . . . . . 0.713 ' HG2' HD12 ' A' ' 201' ' ' ILE . 5.6 tmm_? -40.18 -38.83 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.399 1.062 . . . . 0.0 110.21 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.59 -49.79 61.44 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.58 1.175 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 184' ' ' LYS . . . . . 0.594 ' HB3' HD12 ' A' ' 180' ' ' LEU . 5.2 mmtp -48.97 -41.03 32.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.354 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.566 ' CD2' HG13 ' A' ' 168' ' ' VAL . 0.5 OUTLIER -54.33 -63.3 1.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 6.8 ptp -67.23 -9.85 44.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -79.24 -37.81 37.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 188' ' ' LEU . . . . . 0.582 HD22 ' HB2' ' A' ' 171' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 109.348 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.713 HD12 ' HG2' ' A' ' 182' ' ' ARG . 6.0 mt -85.0 -47.41 17.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 202' ' ' ASP . . . . . 0.501 ' CA ' ' OH ' ' A' ' 230' ' ' TYR . 0.8 OUTLIER -47.27 -28.84 2.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.221 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 90.7 t -80.11 -56.03 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 0.0 109.378 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 204' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 207' ' ' ARG . 3.9 tp60 -57.07 -50.05 73.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.216 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.694 HG12 HG22 ' A' ' 201' ' ' ILE . 14.5 mm -43.19 -52.07 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.302 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 7.6 t -53.61 -37.8 63.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.045 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 207' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 204' ' ' GLN . 2.4 mmp_? -77.43 -36.23 53.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.355 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 208' ' ' LEU . . . . . 0.669 HD21 ' HB3' ' A' ' 165' ' ' GLU . 25.4 mt -69.14 -27.56 65.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 209' ' ' ARG . . . . . 0.636 ' HD2' HG22 ' A' ' 205' ' ' ILE . 2.8 mtt180 -68.2 -53.44 24.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.076 . . . . 0.0 110.353 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.15 -18.58 65.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 3.3 mtp -80.2 -52.92 7.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 212' ' ' VAL . . . . . 0.74 HG23 ' HG2' ' A' ' 213' ' ' GLU . 34.1 m -71.45 -28.37 31.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.74 ' HG2' HG23 ' A' ' 212' ' ' VAL . 2.5 mm-40 -119.79 -147.16 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.163 . . . . 0.0 110.369 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.372 1.045 . . . . 0.0 110.279 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 219' ' ' PRO . . . . . 0.404 ' HG3' ' NE ' ' A' ' 209' ' ' ARG . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -137.13 -55.91 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.57 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 55.0 m-85 -89.66 21.56 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 222' ' ' ILE . . . . . . . . . . . . . 16.2 mm -140.21 110.61 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.41 1.069 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -119.92 101.2 7.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 98.9 m -79.76 121.27 25.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 110.492 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 225' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 229' ' ' GLY . 17.9 m -126.34 120.39 56.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -64.92 -43.97 91.05 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -48.26 -27.09 5.24 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.55 1.156 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.82 -81.7 0.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 0.79 . . . . 0.0 109.258 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 229' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 177.25 -77.94 0.07 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 230' ' ' TYR . . . . . 0.561 ' CE2' HG13 ' A' ' 205' ' ' ILE . 57.1 m-85 -156.3 124.57 5.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.744 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 231' ' ' VAL . . . . . 0.544 HG23 ' HA ' ' A' ' 179' ' ' PRO . 2.7 p -119.52 153.29 22.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.565 1.166 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.593 ' HB2' HD22 ' A' ' 172' ' ' LEU . 8.7 t80 -119.9 97.04 5.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 57.9 t -94.14 111.79 54.74 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 234' ' ' PRO . . . . . 0.563 ' HA ' ' CD2' ' A' ' 221' ' ' TYR . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 111.034 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.676 HG23 ' N ' ' A' ' 138' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ILE . . . . . 0.676 ' N ' HG23 ' A' ' 137' ' ' VAL . 5.3 mp -145.72 107.85 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ALA . . . . . 0.585 ' C ' ' CD1' ' A' ' 140' ' ' PHE . . . -125.05 165.81 17.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 109.366 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' PHE . . . . . 0.619 ' CD1' ' N ' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -144.59 79.53 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.986 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 60.08 -79.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.492 1.12 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 140' ' ' PHE . 0.4 OUTLIER -85.83 -42.81 13.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 0.744 . . . . 0.0 109.35 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.421 ' HB2' ' HB2' ' A' ' 140' ' ' PHE . 85.4 m-85 -69.17 162.68 26.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' LYS . . . . . 0.571 ' HB3' ' CE2' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -162.23 102.86 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 145' ' ' LEU . . . . . 0.626 HD12 ' H ' ' A' ' 146' ' ' ASN . 0.8 OUTLIER -119.7 156.85 29.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 146' ' ' ASN . . . . . 0.661 ' CG ' HG12 ' A' ' 137' ' ' VAL . 46.9 t-20 -156.54 119.7 4.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 147' ' ' LEU . . . . . 0.709 HD21 HD22 ' A' ' 169' ' ' LEU . 3.4 mt -79.5 -24.63 42.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -72.12 -30.13 65.71 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.391 1.057 . . . . 0.0 111.006 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' THR . . . . . 0.434 HG22 ' HB2' ' A' ' 151' ' ' GLU . 2.3 m -110.04 -11.31 14.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 110.443 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 52.72 50.67 17.6 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' GLU . . . . . 0.434 ' HB2' HG22 ' A' ' 149' ' ' THR . 3.2 mt-10 -144.92 116.91 8.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' MET . . . . . 0.409 ' HA ' ' O ' ' A' ' 144' ' ' LYS . 5.7 ttt -119.73 144.96 46.96 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.582 1.177 . . . . 0.0 110.943 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 144' ' ' LYS . 0.9 OUTLIER -159.45 155.46 26.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 154' ' ' ARG . . . . . 0.55 ' O ' ' CB ' ' A' ' 155' ' ' GLU . 0.0 OUTLIER -120.07 98.98 6.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.599 1.187 . . . . 0.0 110.271 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 155' ' ' GLU . . . . . 0.55 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 1.1 tt0 89.62 -24.24 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.539 1.149 . . . . 0.0 110.324 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 156' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 155' ' ' GLU . 0.6 OUTLIER 157.16 -32.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 157' ' ' GLU . . . . . 0.405 ' O ' ' CB ' ' A' ' 153' ' ' PHE . 1.6 mp0 -48.5 105.31 0.48 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.414 1.071 . . . . 0.0 110.323 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 118.36 5.25 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.525 1.803 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 159' ' ' MET . . . . . 0.404 ' HA ' ' HD3' ' A' ' 160' ' ' PRO . 0.0 OUTLIER -144.38 135.67 12.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 160' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 159' ' ' MET . 18.2 Cg_endo -74.94 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.594 1.839 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.76 122.97 4.93 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 88.8 m -39.16 146.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.432 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 13.2 m -50.84 -59.03 4.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.408 1.067 . . . . 0.0 109.973 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -46.38 -46.21 16.68 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.415 1.072 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -56.51 -47.6 78.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 0.797 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 166' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -59.67 -59.86 4.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.17 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -52.17 -59.16 4.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 168' ' ' VAL . . . . . 0.615 HG22 HD11 ' A' ' 201' ' ' ILE . 20.5 t -48.4 -55.51 3.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 124.506 1.129 . . . . 0.0 109.243 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 169' ' ' LEU . . . . . 1.044 HD12 HD22 ' A' ' 208' ' ' LEU . 3.6 tt -54.36 -61.02 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 170' ' ' LYS . . . . . 0.55 ' HG3' HD13 ' A' ' 147' ' ' LEU . 0.5 OUTLIER -41.04 -39.97 1.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 171' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 168' ' ' VAL . . . -60.57 -55.88 28.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.565 1.165 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 172' ' ' LEU . . . . . 0.484 ' CD2' ' C ' ' A' ' 231' ' ' VAL . 0.4 OUTLIER -60.43 -41.26 93.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 173' ' ' VAL . . . . . 0.671 HG11 HD11 ' A' ' 138' ' ' ILE . 41.1 t -79.98 0.22 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 174' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 170' ' ' LYS . 3.2 m -102.4 -27.27 12.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.94 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -115.05 90.53 23.67 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.632 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 132.21 15.17 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.487 1.782 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 177' ' ' ARG . . . . . 0.426 ' HG2' HG22 ' A' ' 233' ' ' VAL . 1.3 mtt180 45.77 54.85 7.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.173 . . . . 0.0 110.242 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 178' ' ' GLU . . . . . 0.503 ' C ' HG23 ' A' ' 231' ' ' VAL . 6.7 tt0 -153.35 98.75 2.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 179' ' ' PRO . . . . . 0.573 ' HB2' HD22 ' A' ' 228' ' ' LEU . 18.3 Cg_endo -74.96 131.0 13.84 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.516 1.798 . . . . 0.0 111.07 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 180' ' ' LEU . . . . . 0.489 ' CD1' ' O ' ' A' ' 178' ' ' GLU . 1.2 mp -131.63 152.55 50.74 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 181' ' ' SER . . . . . 0.507 ' O ' HD12 ' A' ' 185' ' ' LEU . 8.9 m -57.69 159.27 5.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.093 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -32.72 59.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 183' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 187' ' ' ASN . 0.1 OUTLIER -69.52 -60.1 2.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.223 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt -40.99 -36.45 0.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 185' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 181' ' ' SER . 2.0 mp -58.91 -65.31 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 10.2 ptm -67.68 -15.06 63.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 111.051 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 187' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 183' ' ' ASP . 1.2 t30 -79.98 -61.81 1.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 56.7 tp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 201' ' ' ILE . . . . . 0.615 HD11 HG22 ' A' ' 168' ' ' VAL . 1.9 mm -47.97 -45.6 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.385 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -47.27 -57.6 5.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 203' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 207' ' ' ARG . 60.1 t -64.05 -54.91 25.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.386 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 204' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 208' ' ' LEU . 1.7 mp0 -46.46 -36.47 6.65 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.535 1.147 . . . . 0.0 110.346 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 205' ' ' ILE . . . . . 0.412 HD12 ' CD1' ' A' ' 230' ' ' TYR . 4.9 mm -62.34 -63.75 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.248 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 206' ' ' SER . . . . . 0.453 ' HA ' ' CG ' ' A' ' 209' ' ' ARG . 19.4 t -60.88 -28.02 68.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.984 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 207' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 203' ' ' VAL . 16.8 tpp180 -78.74 -27.01 44.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 110.258 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 208' ' ' LEU . . . . . 1.044 HD22 HD12 ' A' ' 169' ' ' LEU . 12.3 mt -80.03 -55.72 4.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 209' ' ' ARG . . . . . 0.672 ' HB3' HG21 ' A' ' 222' ' ' ILE . 0.0 OUTLIER -55.26 -29.36 57.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.33 -45.98 65.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.79 -51.43 69.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.08 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 212' ' ' VAL . . . . . 0.551 ' HB ' ' CZ ' ' A' ' 140' ' ' PHE . 29.0 m -74.83 -34.04 32.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.376 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 213' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 209' ' ' ARG . 58.0 mm-40 -141.49 90.72 2.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.261 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.92 0 N-CA-C 111.049 -0.404 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -141.41 -45.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.239 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 221' ' ' TYR . . . . . 0.599 ' O ' ' CE1' ' A' ' 232' ' ' PHE . 24.3 m-85 -86.94 18.5 3.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.182 . . . . 0.0 111.003 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 222' ' ' ILE . . . . . 0.672 HG21 ' HB3' ' A' ' 209' ' ' ARG . 1.7 mt -152.17 117.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.572 1.17 . . . . 0.0 109.368 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -119.83 102.14 8.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 224' ' ' THR . . . . . 0.732 HG23 ' CE1' ' A' ' 230' ' ' TYR . 31.4 m -83.12 122.97 29.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 110.411 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 225' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 229' ' ' GLY . 0.0 OUTLIER -129.78 106.82 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.075 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -37.51 73.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 108.018 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -56.68 -23.87 45.71 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 228' ' ' LEU . . . . . 0.573 HD22 ' HB2' ' A' ' 179' ' ' PRO . 0.2 OUTLIER -124.23 -79.94 0.62 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 0.788 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 229' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 178.59 -86.01 0.07 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.426 1.079 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 230' ' ' TYR . . . . . 0.732 ' CE1' HG23 ' A' ' 224' ' ' THR . 79.0 m-85 -160.07 124.02 3.68 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 0.755 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 231' ' ' VAL . . . . . 0.514 HG22 ' H ' ' A' ' 232' ' ' PHE . 9.9 p -119.52 170.55 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 232' ' ' PHE . . . . . 0.599 ' CE1' ' O ' ' A' ' 221' ' ' TYR . 14.1 t80 -131.37 104.12 6.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 233' ' ' VAL . . . . . 0.426 HG22 ' HG2' ' A' ' 177' ' ' ARG . 83.1 t -115.27 90.09 23.27 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.122 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.483 HG12 ' OD1' ' A' ' 146' ' ' ASN . 2.1 m -57.54 173.89 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.49 HG22 ' CE1' ' A' ' 140' ' ' PHE . 5.3 mp -131.34 107.75 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.404 1.065 . . . . 0.0 109.318 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.44 149.67 41.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.573 ' CD1' ' HB2' ' A' ' 143' ' ' PHE . 3.4 m-85 -120.7 -179.78 4.1 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -53.04 -28.02 31.92 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -134.71 -47.56 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 0.759 . . . . 0.0 109.354 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.573 ' HB2' ' CD1' ' A' ' 140' ' ' PHE . 10.9 m-85 -69.8 154.61 41.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.482 ' HB2' ' CD2' ' A' ' 153' ' ' PHE . 17.5 mttt -142.69 131.72 23.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.629 HD11 HD22 ' A' ' 169' ' ' LEU . 1.8 tt -142.56 151.85 41.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.483 ' OD1' HG12 ' A' ' 137' ' ' VAL . 22.6 t-20 -160.04 119.85 2.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 1.049 HD22 ' CE1' ' A' ' 166' ' ' PHE . 63.7 mt -78.25 -43.85 27.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 146' ' ' ASN . . . -51.81 -30.13 28.13 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' THR . . . . . 0.426 ' CB ' ' ND2' ' A' ' 146' ' ' ASN . 36.1 m -115.16 -7.2 12.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 0.741 . . . . 0.0 110.421 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 146' ' ' ASN . 0.0 OUTLIER 47.08 53.02 11.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 0.0 110.328 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -139.34 114.84 9.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.417 1.073 . . . . 0.0 110.338 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.42 ' HB3' ' CD1' ' A' ' 161' ' ' LEU . 12.0 ttt -119.71 142.23 48.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.482 ' CD2' ' HB2' ' A' ' 144' ' ' LYS . 0.4 OUTLIER -157.59 157.39 33.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.42 1.075 . . . . 0.0 111.054 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.538 ' HG3' ' CD1' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -123.87 99.69 6.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.524 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 0.6 OUTLIER 88.93 -23.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 155' ' ' GLU . 1.8 t0 156.71 -31.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 153' ' ' PHE . 0.6 OUTLIER -49.55 106.0 0.58 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 122.79 7.41 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.519 1.799 . . . . 0.0 111.061 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.22 122.45 25.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 139.49 24.49 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.544 1.812 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.42 ' CD1' ' HB3' ' A' ' 152' ' ' MET . 10.7 mt -119.94 95.14 4.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 3.5 t -54.07 164.93 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.45 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 167' ' ' ALA . 3.9 m -50.12 -54.03 23.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.651 1.219 . . . . 0.0 109.977 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.511 ' O ' HG23 ' A' ' 168' ' ' VAL . . . -51.61 -55.96 17.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.568 1.168 . . . . 0.0 110.955 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -58.35 -65.99 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 0.712 . . . . 0.0 110.232 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 1.049 ' CE1' HD22 ' A' ' 147' ' ' LEU . 0.2 OUTLIER -47.96 -51.43 23.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 163' ' ' SER . . . -55.68 -46.08 77.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.542 ' O ' ' HB3' ' A' ' 171' ' ' ALA . 3.2 t -56.56 -62.85 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.629 HD22 HD11 ' A' ' 145' ' ' LEU . 0.5 OUTLIER -54.18 -55.18 30.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 170' ' ' LYS . . . . . 0.808 ' HG3' HD13 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -41.14 -44.62 2.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 168' ' ' VAL . . . -53.36 -49.0 68.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.47 HD22 ' HB2' ' A' ' 232' ' ' PHE . 0.8 OUTLIER -65.48 -38.06 88.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 22.4 t -76.91 -6.73 9.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 109.217 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 174' ' ' SER . . . . . 0.457 ' CB ' ' HZ1' ' A' ' 170' ' ' LYS . 0.3 OUTLIER -88.52 -25.56 22.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.995 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -138.85 91.47 11.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.649 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 127.72 10.88 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.556 1.819 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 73.81 31.34 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.424 ' C ' HG23 ' A' ' 231' ' ' VAL . 0.1 OUTLIER -122.39 99.93 42.33 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.181 . . . . 0.0 110.277 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 179' ' ' PRO . . . . . 0.584 ' HB2' HD12 ' A' ' 228' ' ' LEU . 18.5 Cg_endo -74.88 120.0 5.92 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.49 1.784 . . . . 0.0 111.07 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.3 mt -127.52 148.51 50.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 181' ' ' SER . . . . . 0.747 ' O ' HD23 ' A' ' 185' ' ' LEU . 0.2 OUTLIER -61.26 163.62 6.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.042 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -27.38 68.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.02 -53.64 16.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.31 -25.93 64.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.747 HD23 ' O ' ' A' ' 181' ' ' SER . 2.5 mm? -58.44 -69.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 4.4 ptm -64.79 -28.64 69.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -58.15 -59.82 4.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.243 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.7 tt -49.75 -51.73 36.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -61.1 -24.49 66.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 2.4 ttp85 -89.66 77.69 7.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.277 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -104.32 -91.1 2.2 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.472 1.107 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.67 -54.63 2.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.01 162.4 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 110.366 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 194' ' ' TYR . . . . . 0.496 ' CG ' ' O ' ' A' ' 194' ' ' TYR . 10.5 t80 -61.92 82.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 111.054 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 27.1 t -142.44 21.55 2.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.025 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -114.82 61.43 0.68 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.599 1.187 . . . . 0.0 109.312 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.58 -45.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -79.54 80.5 5.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 110.259 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -80.2 84.46 5.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 200' ' ' SER . . . . . 0.501 ' OG ' ' CG1' ' A' ' 203' ' ' VAL . 0.6 OUTLIER -150.15 129.1 12.56 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.571 1.169 . . . . 0.0 109.972 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.567 ' CG2' ' CE2' ' A' ' 230' ' ' TYR . 0.3 OUTLIER -135.47 -46.62 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.36 -40.67 96.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 203' ' ' VAL . . . . . 0.501 ' CG1' ' OG ' ' A' ' 200' ' ' SER . 6.3 p -80.33 -33.41 14.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 204' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.74 -52.58 16.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.564 HG13 ' CE1' ' A' ' 230' ' ' TYR . 5.7 mm -53.33 -57.41 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 4.0 p -43.37 -48.73 7.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.453 1.096 . . . . 0.0 110.06 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -66.46 -32.33 73.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.343 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 208' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 205' ' ' ILE . 13.6 mt -73.51 -36.06 65.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 209' ' ' ARG . . . . . 0.723 ' HG3' HG21 ' A' ' 222' ' ' ILE . 5.2 mtp-105 -68.44 -22.07 64.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -77.71 -58.68 3.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 211' ' ' MET . . . . . 0.664 ' HG3' HG13 ' A' ' 212' ' ' VAL . 8.5 ptp -49.48 -40.8 38.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 212' ' ' VAL . . . . . 0.664 HG13 ' HG3' ' A' ' 211' ' ' MET . 12.4 m -79.1 -36.09 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.596 1.185 . . . . 0.0 109.218 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.49 ' HG2' HG23 ' A' ' 212' ' ' VAL . 5.2 mm-40 -131.54 103.5 6.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.26 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -41.26 -33.3 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.254 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -104.62 105.44 50.36 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 54.43 3.69 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -145.08 -46.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -117.13 80.9 12.25 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.608 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 219' ' ' PRO . . . . . 0.489 ' HA ' ' CG ' ' A' ' 213' ' ' GLU . 18.4 Cg_endo -74.94 -159.49 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.54 1.811 . . . . 0.0 111.03 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 220' ' ' ARG . . . . . 0.46 ' HD3' ' CE1' ' A' ' 221' ' ' TYR . 22.3 ttt85 -155.69 -51.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.576 1.173 . . . . 0.0 110.2 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.46 ' CE1' ' HD3' ' A' ' 220' ' ' ARG . 78.0 m-85 -101.73 19.37 18.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.083 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 222' ' ' ILE . . . . . 0.723 HG21 ' HG3' ' A' ' 209' ' ' ARG . 27.2 mm -143.65 112.93 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 223' ' ' GLN . . . . . 0.821 ' O ' HG12 ' A' ' 231' ' ' VAL . 5.0 mt-30 -119.89 89.5 3.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 10.3 m -73.21 123.12 23.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.439 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 225' ' ' VAL . . . . . 0.643 HG12 ' H ' ' A' ' 228' ' ' LEU . 40.9 t -117.72 119.53 61.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.236 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 24.2 m95 -62.59 -47.71 82.6 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -56.67 -48.0 80.73 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.595 1.185 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 228' ' ' LEU . . . . . 0.643 ' H ' HG12 ' A' ' 225' ' ' VAL . 2.7 mm? -87.07 -81.58 0.23 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.556 0.797 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 229' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 169.83 -80.55 0.09 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.417 1.073 . . . . 0.0 110.94 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 230' ' ' TYR . . . . . 0.689 ' HB2' HD21 ' A' ' 185' ' ' LEU . 98.0 m-85 -152.08 118.73 5.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 0.809 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 231' ' ' VAL . . . . . 0.821 HG12 ' O ' ' A' ' 223' ' ' GLN . 4.8 p -119.84 151.7 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.47 ' HB2' HD22 ' A' ' 172' ' ' LEU . 32.0 t80 -120.11 98.37 6.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 233' ' ' VAL . . . . . 0.455 HG12 ' HA2' ' A' ' 236' ' ' GLY . 53.1 t -109.51 103.06 51.94 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 234' ' ' PRO . . . . . 0.49 ' O ' ' CB ' ' A' ' 235' ' ' ASP . 18.1 Cg_endo -74.95 132.54 15.61 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.544 1.813 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 235' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 234' ' ' PRO . 2.3 t0 81.65 -54.35 0.26 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 236' ' ' GLY . . . . . 0.455 ' HA2' HG12 ' A' ' 233' ' ' VAL . . . 112.62 127.37 4.78 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.505 1.128 . . . . 0.0 110.934 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 67.6 p -144.23 -62.75 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 0.789 . . . . 0.0 109.954 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -161.07 118.61 2.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.4 1.063 . . . . 0.0 109.352 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.402 ' C ' HG13 ' A' ' 137' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.617 HG23 ' N ' ' A' ' 138' ' ' ILE . 0.8 OUTLIER 50.58 -179.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.623 ' HB ' HD22 ' A' ' 145' ' ' LEU . 4.4 mp -142.73 115.94 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.666 ' HB2' ' HG2' ' A' ' 144' ' ' LYS . . . -124.66 157.22 36.09 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.544 ' CD2' ' HB3' ' A' ' 143' ' ' PHE . 3.4 m-85 -122.74 -179.22 4.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -36.26 -64.96 0.54 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.573 1.171 . . . . 0.0 111.043 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.14 38.33 3.99 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.4 0.706 . . . . 0.0 109.248 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 154' ' ' ARG . 1.8 t80 -139.63 166.26 25.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.666 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 0.1 OUTLIER -157.96 120.25 3.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.623 HD22 ' HB ' ' A' ' 138' ' ' ILE . 0.7 OUTLIER -133.32 156.05 48.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.616 1.197 . . . . 0.0 109.302 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.497 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 0.7 OUTLIER -157.9 115.55 3.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.376 1.047 . . . . 0.0 109.312 -179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.587 HD13 ' CG ' ' A' ' 170' ' ' LYS . 10.0 mt -78.51 -38.19 41.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.435 1.084 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -61.68 -20.02 58.96 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.623 1.202 . . . . 0.0 111.043 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 18.0 m -114.03 -30.27 6.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.431 0.724 . . . . 0.0 110.404 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.448 ' HG3' ' CD2' ' A' ' 166' ' ' PHE . 19.5 ttm180 71.47 43.24 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -147.13 114.46 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.738 ' SD ' HD11 ' A' ' 161' ' ' LEU . 5.0 ptm -129.21 152.64 48.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.572 1.17 . . . . 0.0 110.963 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.507 ' CD1' ' C ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -139.69 176.39 8.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.158 . . . . 0.0 110.966 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.565 ' HB2' ' CE2' ' A' ' 143' ' ' PHE . 13.4 ttt85 -160.06 120.01 2.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.228 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 47.71 56.3 7.31 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.442 1.088 . . . . 0.0 110.285 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.3 49.06 7.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.27 89.02 4.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 0.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.493 ' HB3' ' CD1' ' A' ' 153' ' ' PHE . 18.2 Cg_endo -75.03 150.43 38.01 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.32 136.44 8.11 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.637 1.211 . . . . 0.0 110.986 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 170.76 19.67 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.477 1.777 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.738 HD11 ' SD ' ' A' ' 152' ' ' MET . 25.8 mt -127.46 129.7 47.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.364 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 3.0 p -77.76 168.49 19.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.405 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 167' ' ' ALA . 1.4 p -55.6 -56.59 18.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.946 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -51.87 -53.29 30.58 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.844 ' HG2' HD21 ' A' ' 208' ' ' LEU . 43.0 mt-10 -62.78 -71.33 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.408 0.711 . . . . 0.0 110.319 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.56 ' CZ ' ' HE2' ' A' ' 170' ' ' LYS . 30.5 t80 -41.13 -45.08 2.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 163' ' ' SER . . . -64.73 -58.59 5.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.123 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 2.6 t -49.69 -48.25 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.571 ' CD2' HD11 ' A' ' 145' ' ' LEU . 0.4 OUTLIER -64.71 -33.84 76.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 170' ' ' LYS . . . . . 0.587 ' CG ' HD13 ' A' ' 147' ' ' LEU . 5.5 mttm -60.75 -39.76 89.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.556 ' HB2' ' CA ' ' A' ' 189' ' ' ALA . . . -70.31 -44.27 68.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.575 1.172 . . . . 0.0 109.239 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.406 ' CD2' ' HB2' ' A' ' 232' ' ' PHE . 1.0 OUTLIER -64.58 -44.67 89.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.127 . . . . 0.0 109.244 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.564 HG11 HD13 ' A' ' 138' ' ' ILE . 80.1 t -73.85 -30.45 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 174' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 170' ' ' LYS . 2.1 m -55.41 -36.98 67.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.89 90.55 50.56 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.603 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 120.51 6.1 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.44 1.758 . . . . 0.0 110.959 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 72.67 50.13 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 179' ' ' PRO . 0.9 OUTLIER -159.44 131.21 4.09 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 179' ' ' PRO . . . . . 0.69 ' HB2' HD12 ' A' ' 228' ' ' LEU . 18.4 Cg_endo -75.06 164.25 33.62 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.563 1.823 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.729 HD21 HD13 ' A' ' 188' ' ' LEU . 0.4 OUTLIER -162.31 112.44 1.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.85 142.65 8.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.088 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 182' ' ' ARG . . . . . 0.44 ' HG2' ' CD1' ' A' ' 201' ' ' ILE . 5.0 ttm180 -41.64 -31.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.374 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.43 -50.33 10.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -57.76 -44.3 86.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.545 HD13 ' HB2' ' A' ' 230' ' ' TYR . 2.1 tt -57.65 -61.98 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 6.2 ttt -42.87 -45.5 4.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.363 1.039 . . . . 0.0 111.028 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -69.03 -53.63 19.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.729 HD13 HD21 ' A' ' 180' ' ' LEU . 0.8 OUTLIER -50.52 -52.29 39.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.359 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 189' ' ' ALA . . . . . 0.556 ' CA ' ' HB2' ' A' ' 171' ' ' ALA . . . -42.79 -51.42 5.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.94 98.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.332 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -114.04 -38.35 1.15 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.435 1.084 . . . . 0.0 111.06 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.63 -59.64 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 110.228 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 193' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 195' ' ' SER . 1.3 pt-20 -49.44 178.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.226 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 194' ' ' TYR . . . . . 0.443 ' O ' ' CD2' ' A' ' 194' ' ' TYR . 66.7 t80 -68.28 69.56 0.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 111.046 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 195' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 193' ' ' GLU . 37.9 t -137.31 55.63 1.8 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.45 1.094 . . . . 0.0 110.022 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -132.06 -47.22 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 15.2 tpp -84.95 46.6 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -88.88 -69.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.79 -62.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.91 165.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.561 1.163 . . . . 0.0 109.996 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.469 HG21 HD22 ' A' ' 185' ' ' LEU . 3.3 mt -76.14 -57.68 5.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 202' ' ' ASP . . . . . 0.439 ' N ' ' OH ' ' A' ' 230' ' ' TYR . 0.9 OUTLIER -40.0 -41.91 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 95.7 t -62.04 -53.06 52.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.356 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 204' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 208' ' ' LEU . 21.8 mm-40 -62.49 -43.57 98.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.361 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.503 HG21 ' OG1' ' A' ' 224' ' ' THR . 21.6 mm -43.98 -47.04 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 6.3 t -62.1 -58.97 5.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.606 1.191 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 14.6 mtt-85 -54.12 -29.95 46.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 208' ' ' LEU . . . . . 0.844 HD21 ' HG2' ' A' ' 165' ' ' GLU . 3.6 mm? -77.87 -40.68 39.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 209' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 213' ' ' GLU . 2.7 ttm180 -58.37 -52.32 66.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.19 -25.62 67.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.245 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -56.25 10.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 111.035 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 212' ' ' VAL . . . . . 0.77 HG23 ' HG2' ' A' ' 213' ' ' GLU . 15.8 m -80.33 -27.72 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.196 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.77 ' HG2' HG23 ' A' ' 212' ' ' VAL . 37.3 mm-40 -114.74 -147.73 0.42 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.502 1.126 . . . . 0.0 110.348 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 214' ' ' GLU . . . . . 0.44 ' HG2' ' CD ' ' A' ' 216' ' ' PRO . 62.3 tt0 -172.35 -63.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 215' ' ' ASP . . . . . 0.512 ' N ' ' CD ' ' A' ' 216' ' ' PRO . 0.4 OUTLIER 163.45 -52.25 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 216' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 215' ' ' ASP . 18.4 Cg_endo -75.01 -2.86 13.09 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.464 1.77 . . . . 0.0 111.057 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 218' ' ' HIS . . . -112.47 -17.89 12.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 218' ' ' HIS . . . . . 0.404 ' O ' ' O ' ' A' ' 217' ' ' ALA . 0.3 OUTLIER 61.33 143.67 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.618 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 219' ' ' PRO . . . . . 0.447 ' O ' ' NH1' ' A' ' 220' ' ' ARG . 18.5 Cg_endo -74.96 -159.63 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.418 1.746 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 220' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 219' ' ' PRO . 0.1 OUTLIER 163.56 -45.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.599 ' O ' ' CE2' ' A' ' 232' ' ' PHE . 87.5 m-85 -90.73 20.37 4.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 222' ' ' ILE . . . . . . . . . . . . . 32.3 mm -147.99 110.72 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -124.7 119.88 30.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 224' ' ' THR . . . . . 0.529 HG23 ' CD1' ' A' ' 230' ' ' TYR . 97.1 m -109.68 114.55 28.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.588 1.18 . . . . 0.0 110.459 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 225' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 229' ' ' GLY . 24.0 t -111.15 134.98 51.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 9.2 m95 -75.32 -54.5 6.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 107.987 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -54.37 -27.67 41.16 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.496 1.122 . . . . 0.0 111.085 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 228' ' ' LEU . . . . . 0.69 HD12 ' HB2' ' A' ' 179' ' ' PRO . 1.3 mm? -105.63 -80.23 0.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.384 0.696 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 229' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 164.3 -86.08 0.1 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.47 1.106 . . . . 0.0 111.094 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 230' ' ' TYR . . . . . 0.545 ' HB2' HD13 ' A' ' 185' ' ' LEU . 48.4 m-85 -144.85 115.87 7.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 0.742 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 231' ' ' VAL . . . . . 0.472 HG22 HG23 ' A' ' 233' ' ' VAL . 0.2 OUTLIER -119.45 145.8 25.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 221' ' ' TYR . 10.0 t80 -121.44 98.21 5.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 233' ' ' VAL . . . . . 0.472 HG23 HG22 ' A' ' 231' ' ' VAL . 93.7 t -101.75 107.83 53.46 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 118.55 5.3 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.506 1.792 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 6.7 t70 46.09 92.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.172 . . . . 0.0 109.332 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -64.66 142.79 45.92 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.103 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 3.4 m -101.11 100.61 11.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 0.797 . . . . 0.0 109.959 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.99 132.96 11.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.098 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.641 1.213 . . . . 0.0 109.266 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.406 ' O ' HG22 ' A' ' 137' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.673 HG23 ' N ' ' A' ' 138' ' ' ILE . 0.7 OUTLIER 49.46 -175.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.403 1.064 . . . . 0.0 109.344 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.673 ' N ' HG23 ' A' ' 137' ' ' VAL . 3.1 mp -145.91 118.02 2.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.572 1.17 . . . . 0.0 109.32 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.666 ' HB2' ' HG2' ' A' ' 144' ' ' LYS . . . -127.29 158.68 36.55 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 143' ' ' PHE . 2.5 m-85 -121.3 -179.0 3.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.135 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -36.19 -64.83 0.55 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.558 1.162 . . . . 0.0 111.044 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -121.5 37.68 4.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 0.747 . . . . 0.0 109.262 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.584 ' CZ ' HG12 ' A' ' 212' ' ' VAL . 2.4 t80 -137.29 170.9 15.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 110.967 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.666 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -158.72 132.3 7.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.349 179.877 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.597 HD11 ' CD1' ' A' ' 161' ' ' LEU . 5.1 tt -146.71 157.41 43.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.169 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.497 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 50.3 t-20 -159.03 126.73 4.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.581 HD23 ' HG3' ' A' ' 170' ' ' LYS . 2.2 mp -78.16 -50.97 10.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -52.32 -33.77 39.76 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' THR . . . . . 0.432 HG22 ' HB2' ' A' ' 151' ' ' GLU . 4.0 m -101.57 -19.51 15.45 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.479 0.752 . . . . 0.0 110.426 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 146' ' ' ASN . 0.0 OUTLIER 52.53 50.95 17.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.231 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.432 ' HB2' HG22 ' A' ' 149' ' ' THR . 69.9 mt-10 -149.25 116.63 6.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.273 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.723 ' HG2' HD11 ' A' ' 161' ' ' LEU . 0.2 OUTLIER -123.7 152.83 41.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 111.008 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.559 ' CE2' ' HD2' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -135.66 174.73 10.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.975 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.578 ' HB2' ' CE2' ' A' ' 143' ' ' PHE . 1.5 tmt_? -159.96 120.82 3.07 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.554 1.159 . . . . 0.0 110.267 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 49.47 54.03 11.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 59.89 59.48 2.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.46 93.0 1.12 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.517 ' HB3' ' CD1' ' A' ' 153' ' ' PHE . 18.5 Cg_endo -74.93 153.47 42.17 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.42 1.747 . . . . 0.0 111.047 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.92 135.05 6.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 111.064 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 156.86 43.12 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.546 1.814 . . . . 0.0 110.949 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.723 HD11 ' HG2' ' A' ' 152' ' ' MET . 65.7 mt -120.15 115.84 24.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 162' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 165' ' ' GLU . 2.0 p -46.56 142.1 3.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 10.5 m -43.54 -35.64 1.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.947 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -71.83 -38.86 60.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.599 1.187 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.705 ' HG2' HD21 ' A' ' 208' ' ' LEU . 0.0 OUTLIER -61.47 -71.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.44 0.73 . . . . 0.0 110.288 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 170' ' ' LYS . 0.3 OUTLIER -41.8 -38.31 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.964 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -58.13 -63.03 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.451 HG13 ' CD2' ' A' ' 185' ' ' LEU . 9.4 t -55.2 -58.75 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 172' ' ' LEU . 1.9 tt -48.59 -53.19 19.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 170' ' ' LYS . . . . . 0.581 ' HG3' HD23 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -45.67 -55.98 5.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -57.68 -31.67 66.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.597 HD11 ' HB3' ' A' ' 230' ' ' TYR . 5.2 tp -71.65 -48.93 44.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.179 . . . . 0.0 109.261 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.511 HG12 ' HA ' ' A' ' 170' ' ' LYS . 4.3 p -80.04 -0.33 3.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 174' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 170' ' ' LYS . 44.6 t -87.39 -36.09 17.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 110.069 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -130.26 79.38 72.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.58 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 176' ' ' PRO . . . . . 0.469 ' O ' ' CB ' ' A' ' 177' ' ' ARG . 18.4 Cg_endo -74.93 146.08 32.54 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.469 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 9.2 ttt180 81.51 -51.52 0.27 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.396 1.06 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -82.31 114.12 48.98 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 0.0 110.348 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 179' ' ' PRO . . . . . 0.572 ' HG2' HD22 ' A' ' 228' ' ' LEU . 18.1 Cg_endo -75.06 152.01 39.95 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.456 1.767 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.472 ' O ' HD12 ' A' ' 185' ' ' LEU . 18.8 mt -142.78 117.21 9.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 181' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 184' ' ' LYS . 52.6 p -45.11 142.83 1.78 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.14 . . . . 0.0 109.954 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 182' ' ' ARG . . . . . 0.712 ' HA ' HD13 ' A' ' 185' ' ' LEU . 0.0 OUTLIER -44.66 -26.12 0.35 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 183' ' ' ASP . . . . . 0.411 ' N ' ' C ' ' A' ' 181' ' ' SER . 1.1 m-20 -64.33 -43.84 93.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.369 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 184' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 181' ' ' SER . 0.0 OUTLIER -67.04 -35.17 79.3 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.712 HD13 ' HA ' ' A' ' 182' ' ' ARG . 0.7 OUTLIER -56.1 -67.01 0.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.102 . . . . 0.0 109.238 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 186' ' ' MET . . . . . 0.401 ' HA ' ' HB3' ' A' ' 189' ' ' ALA . 25.7 ptm -55.53 -33.57 63.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.433 1.083 . . . . 0.0 110.915 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.69 -49.97 71.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.67 -49.14 22.45 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.31 1.006 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 189' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 191' ' ' GLY . . . -51.4 -60.03 3.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -63.9 76.92 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 191' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 189' ' ' ALA . . . -96.06 -59.81 1.04 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -154.96 50.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.417 0.716 . . . . 0.0 110.278 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -173.03 169.64 4.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.318 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 194' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -92.09 66.32 4.9 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 111.068 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 15.0 t -136.95 60.55 1.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 109.993 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -154.42 -64.16 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 32.0 ttm -86.39 48.35 1.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -75.52 -57.37 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.32 -69.19 0.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 200' ' ' SER . . . . . 0.511 ' HB3' HG23 ' A' ' 203' ' ' VAL . 0.1 OUTLIER -179.12 134.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.051 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 185' ' ' LEU . 2.6 mt -58.22 -57.03 12.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 202' ' ' ASP . . . . . 0.444 ' OD2' ' CZ2' ' A' ' 226' ' ' TRP . 0.2 OUTLIER -44.05 -44.47 7.45 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.452 1.095 . . . . 0.0 109.359 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 203' ' ' VAL . . . . . 0.511 HG23 ' HB3' ' A' ' 200' ' ' SER . 82.3 t -62.66 -59.47 4.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 204' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 207' ' ' ARG . 5.4 mt-30 -52.91 -56.3 16.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.593 1.183 . . . . 0.0 110.356 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.539 HG22 ' HD2' ' A' ' 209' ' ' ARG . 20.7 mm -40.31 -38.96 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 3.2 t -66.22 -50.12 64.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.578 1.174 . . . . 0.0 109.946 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 207' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 204' ' ' GLN . 0.1 OUTLIER -60.73 -30.07 69.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.346 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 208' ' ' LEU . . . . . 0.794 ' O ' HG22 ' A' ' 212' ' ' VAL . 20.4 mt -79.99 -30.89 39.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 209' ' ' ARG . . . . . 0.539 ' HD2' HG22 ' A' ' 205' ' ' ILE . 0.0 OUTLIER -67.06 -55.82 12.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 21.2 ttt-85 -63.42 -35.03 79.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 0.0 110.35 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -60.43 3.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.59 1.181 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 212' ' ' VAL . . . . . 0.794 HG22 ' O ' ' A' ' 208' ' ' LEU . 35.5 m -71.83 -30.21 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.774 ' HG2' HG23 ' A' ' 212' ' ' VAL . 5.5 mm-40 -115.27 93.36 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.34 -32.87 2.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.428 1.08 . . . . 0.0 110.315 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.64 162.53 0.44 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -38.28 1.66 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.531 1.806 . . . . 0.0 111.062 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -161.84 56.98 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 218' ' ' HIS . . . . . 0.407 ' N ' ' HD3' ' A' ' 219' ' ' PRO . 5.5 t-160 -134.07 64.79 67.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.559 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 219' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' A' ' 213' ' ' GLU . 18.3 Cg_endo -75.06 -159.58 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.426 1.75 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.12 -47.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.338 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.657 ' O ' HD13 ' A' ' 222' ' ' ILE . 20.8 m-85 -91.01 18.9 6.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 111.087 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 222' ' ' ILE . . . . . 0.657 HD13 ' O ' ' A' ' 221' ' ' TYR . 19.6 mm -143.65 112.02 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 223' ' ' GLN . . . . . 0.45 ' CB ' HG13 ' A' ' 231' ' ' VAL . 5.3 mm-40 -119.99 103.42 9.29 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 17.9 m -105.31 115.59 30.52 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.562 1.164 . . . . 0.0 110.419 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 225' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 229' ' ' GLY . 0.7 OUTLIER -121.82 105.55 16.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 226' ' ' TRP . . . . . 0.444 ' CZ2' ' OD2' ' A' ' 202' ' ' ASP . 68.0 m95 -50.44 -42.44 54.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 107.991 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -51.39 -20.46 5.23 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.478 1.111 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 228' ' ' LEU . . . . . 0.572 HD22 ' HG2' ' A' ' 179' ' ' PRO . 4.2 mt -128.94 -78.29 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 229' ' ' GLY . . . . . 0.496 ' C ' ' CD1' ' A' ' 230' ' ' TYR . . . 179.68 -110.81 0.29 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.117 . . . . 0.0 110.964 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 230' ' ' TYR . . . . . 0.602 ' HB2' HD11 ' A' ' 185' ' ' LEU . 9.6 m-85 -139.5 117.16 11.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.75 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 231' ' ' VAL . . . . . 0.453 HG21 ' O ' ' A' ' 177' ' ' ARG . 7.0 p -119.11 155.17 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.544 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 2.7 t80 -118.57 95.7 4.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.383 1.052 . . . . 0.0 110.977 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 233' ' ' VAL . . . . . 0.534 HG21 ' C ' ' A' ' 239' ' ' ALA . 45.2 t -112.43 97.65 40.8 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 234' ' ' PRO . . . . . 0.56 ' HB3' ' CD2' ' A' ' 221' ' ' TYR . 18.5 Cg_endo -74.97 151.02 39.17 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.563 1.823 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 5.2 t0 61.78 175.26 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -81.06 -150.78 7.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.107 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 1.8 t 61.97 111.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.481 0.753 . . . . 0.0 110.022 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.98 167.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 239' ' ' ALA . . . . . 0.534 ' C ' HG21 ' A' ' 233' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.276 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.501 ' C ' HG13 ' A' ' 137' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.824 ' C ' HD12 ' A' ' 138' ' ' ILE . 0.8 OUTLIER 54.55 168.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.824 HD12 ' C ' ' A' ' 137' ' ' VAL . 2.5 mp -136.92 113.45 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.01 154.1 33.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.56 ' CD1' ' HB2' ' A' ' 143' ' ' PHE . 5.0 m-85 -120.16 -179.4 3.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -60.02 -13.91 29.11 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.455 1.097 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -143.18 -48.09 0.31 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 0.768 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.56 ' HB2' ' CD1' ' A' ' 140' ' ' PHE . 24.9 m-85 -74.85 158.08 34.02 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.518 1.136 . . . . 0.0 111.043 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -145.12 113.21 6.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.616 HD12 ' SD ' ' A' ' 152' ' ' MET . 3.6 tt -119.74 149.27 42.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.231 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -160.37 121.91 3.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.926 HD13 ' HG3' ' A' ' 170' ' ' LYS . 6.7 mt -84.38 -42.02 16.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -58.25 -22.29 49.84 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 52.1 m -113.02 -12.81 13.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.771 . . . . 0.0 110.376 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 50.43 51.85 16.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.326 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 153' ' ' PHE . 1.5 mt-10 -146.88 115.83 6.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 0.0 110.361 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.616 ' SD ' HD12 ' A' ' 145' ' ' LEU . 3.5 ttt -119.93 145.62 46.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.664 ' CD1' ' N ' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -156.63 156.85 34.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' A' ' 154' ' ' ARG . 12.1 ptt85 -130.4 104.3 7.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.247 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.509 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 0.6 OUTLIER 88.28 -31.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 155' ' ' GLU . 3.7 m-20 161.14 -28.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.2 113.36 7.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 139.47 24.46 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.522 1.801 . . . . 0.0 111.032 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' MET . . . . . 0.471 ' CE ' ' SD ' ' A' ' 211' ' ' MET . 1.5 ptm -158.13 111.26 1.73 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 160' ' ' PRO . . . . . 0.619 ' O ' HD23 ' A' ' 161' ' ' LEU . 18.3 Cg_endo -74.95 -177.45 3.47 Favored 'Trans proline' 0 C--N 1.362 1.252 0 O-C-N 124.459 1.768 . . . . 0.0 111.038 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.794 HD22 HD22 ' A' ' 208' ' ' LEU . 89.5 mt -137.11 111.17 8.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -48.66 158.44 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 29.2 m -45.98 -54.88 7.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.052 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.417 ' HA2' ' CB ' ' A' ' 195' ' ' SER . . . -54.65 -48.66 64.64 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.572 1.17 . . . . 0.0 110.995 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.49 ' HG2' HD21 ' A' ' 208' ' ' LEU . 5.5 mt-10 -61.95 -67.44 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 110.363 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 147' ' ' LEU . 2.9 t80 -42.63 -48.24 5.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.569 ' HB3' ' OG ' ' A' ' 195' ' ' SER . . . -53.29 -63.41 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.601 ' O ' ' HB3' ' A' ' 171' ' ' ALA . 5.3 t -45.87 -55.65 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.545 HD11 ' CD1' ' A' ' 145' ' ' LEU . 8.2 tt -52.41 -57.45 9.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 170' ' ' LYS . . . . . 0.926 ' HG3' HD13 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -46.11 -35.5 5.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 168' ' ' VAL . . . -66.85 -50.41 62.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.518 HD22 ' HB2' ' A' ' 232' ' ' PHE . 0.3 OUTLIER -64.37 -41.35 96.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 56.0 t -77.33 -14.45 14.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 174' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 170' ' ' LYS . 1.1 m -77.74 -15.27 59.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.949 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.39 91.43 5.05 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.558 1.161 . . . . 0.0 109.528 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.89 148.88 36.44 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.564 1.823 . . . . 0.0 111.041 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 50.29 30.65 4.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.98 106.17 12.55 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 110.3 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 179' ' ' PRO . . . . . 0.439 ' HB2' HD12 ' A' ' 228' ' ' LEU . 18.3 Cg_endo -74.98 144.45 30.35 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.545 1.813 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 3.1 mt -137.69 163.7 30.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.377 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 181' ' ' SER . . . . . 0.475 ' O ' HD23 ' A' ' 185' ' ' LEU . 29.7 p -90.17 148.6 22.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 110.039 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 182' ' ' ARG . . . . . 0.454 ' HB3' ' CD1' ' A' ' 201' ' ' ILE . 1.2 mpp_? -50.93 -28.06 8.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 110.357 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 183' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 187' ' ' ASN . 4.1 t0 -71.01 -28.87 64.73 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.48 1.113 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 184' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 181' ' ' SER . 1.1 mmtt -76.83 -19.55 57.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.534 HD12 HG21 ' A' ' 201' ' ' ILE . 1.0 OUTLIER -71.65 -58.26 3.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 186' ' ' MET . . . . . 0.408 ' HB2' ' HB1' ' A' ' 196' ' ' ALA . 5.0 ppp? -71.37 -33.79 69.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 187' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 190' ' ' ARG . 12.2 t-20 -61.88 -63.49 1.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.367 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.13 -38.23 17.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.413 1.071 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 189' ' ' ALA . . . . . 0.591 ' O ' ' HB2' ' A' ' 196' ' ' ALA . . . -97.29 36.9 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 190' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 187' ' ' ASN . 46.0 ttt180 -106.92 90.8 3.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . 177.42 -148.29 8.7 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.578 1.174 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.08 65.47 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 0.789 . . . . 0.0 110.371 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 193' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 195' ' ' SER . 3.8 tt0 -171.18 102.54 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 194' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -66.57 70.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 195' ' ' SER . . . . . 0.569 ' OG ' ' HB3' ' A' ' 167' ' ' ALA . 2.0 t -125.59 -43.41 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.948 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.591 ' HB2' ' O ' ' A' ' 189' ' ' ALA . . . -68.3 -51.95 39.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.087 . . . . 0.0 109.219 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 26.7 ttm -83.19 58.47 4.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.48 -59.84 1.85 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.475 1.109 . . . . 0.0 110.248 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 199' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 200' ' ' SER . 0.0 OUTLIER 165.69 81.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.214 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 200' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 199' ' ' ARG . 0.9 OUTLIER 53.0 173.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 0.0 109.952 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.534 HG21 HD12 ' A' ' 185' ' ' LEU . 0.9 OUTLIER -109.42 -64.78 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.355 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 202' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 201' ' ' ILE . 0.5 OUTLIER -36.41 -33.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.29 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 203' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 201' ' ' ILE . 54.1 t -60.62 -61.27 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 204' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 201' ' ' ILE . 2.0 mt-30 -61.35 -28.78 69.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 110.342 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.475 ' CD1' HG22 ' A' ' 201' ' ' ILE . 0.6 OUTLIER -56.71 -63.58 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 206' ' ' SER . . . . . 0.432 ' N ' HG22 ' A' ' 205' ' ' ILE . 73.6 p -50.72 -31.87 17.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.044 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -71.06 -51.77 23.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.353 1.033 . . . . 0.0 110.246 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 208' ' ' LEU . . . . . 0.794 HD22 HD22 ' A' ' 161' ' ' LEU . 53.9 mt -67.86 -28.92 67.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 209' ' ' ARG . . . . . 0.463 ' NH2' ' CB ' ' A' ' 208' ' ' LEU . 6.8 mmp_? -80.3 -41.24 25.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -64.09 -18.7 64.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 211' ' ' MET . . . . . 0.471 ' SD ' ' CE ' ' A' ' 159' ' ' MET . 4.4 ttm -73.77 -62.16 1.59 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 212' ' ' VAL . . . . . 0.589 HG23 ' HG2' ' A' ' 213' ' ' GLU . 30.2 m -76.74 -33.99 22.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.073 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.589 ' HG2' HG23 ' A' ' 212' ' ' VAL . 66.9 mm-40 -112.75 90.12 3.26 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.26 52.69 1.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.2 110.59 41.12 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.102 . . . . 0.0 109.371 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 56.32 4.22 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.524 1.802 . . . . 0.0 110.961 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -151.43 -48.46 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 169.51 150.58 0.13 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.579 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -159.55 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.554 1.818 . . . . 0.0 111.015 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 220' ' ' ARG . . . . . 0.537 ' HG3' ' CD2' ' A' ' 221' ' ' TYR . 7.7 ptp180 -133.67 -45.26 0.81 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 110.367 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.575 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 75.2 m-85 -87.44 18.32 3.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 111.065 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 222' ' ' ILE . . . . . 0.56 HD11 ' CD2' ' A' ' 232' ' ' PHE . 5.5 mm -151.87 117.47 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.107 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 223' ' ' GLN . . . . . 0.5 ' O ' HG12 ' A' ' 231' ' ' VAL . 73.3 mm-40 -122.94 106.1 10.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.255 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 22.1 m -70.08 117.95 12.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.421 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 225' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 229' ' ' GLY . 62.4 t -116.88 116.95 53.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 46.3 m95 -55.45 -56.94 14.43 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 108.04 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -46.1 -39.48 9.28 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.511 1.132 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 228' ' ' LEU . . . . . 0.457 ' H ' HG12 ' A' ' 225' ' ' VAL . 1.5 mm? -101.92 -93.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 0.745 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 229' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 174.29 -75.44 0.08 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.148 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 230' ' ' TYR . . . . . 0.417 ' OH ' ' N ' ' A' ' 202' ' ' ASP . 70.7 m-85 -144.38 119.58 10.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.573 0.808 . . . . 0.0 110.973 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 231' ' ' VAL . . . . . 0.5 HG12 ' O ' ' A' ' 223' ' ' GLN . 2.4 p -119.08 144.21 28.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 2.6 t80 -119.96 97.97 5.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.956 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 233' ' ' VAL . . . . . 0.632 HG13 ' HD2' ' A' ' 234' ' ' PRO . 76.6 t -118.64 141.12 29.35 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 234' ' ' PRO . . . . . 0.632 ' HD2' HG13 ' A' ' 233' ' ' VAL . 18.2 Cg_endo -75.05 128.18 11.24 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 42.7 88.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.419 1.074 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -164.5 173.17 40.42 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 110.922 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 237' ' ' SER . . . . . 0.411 ' HA ' ' NE2' ' A' ' 223' ' ' GLN . 0.4 OUTLIER -160.92 106.28 1.4 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.547 0.793 . . . . 0.0 110.004 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.79 107.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.535 ' C ' HG13 ' A' ' 137' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.725 ' C ' HD12 ' A' ' 138' ' ' ILE . 1.3 m 54.73 174.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.57 1.169 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.725 HD12 ' C ' ' A' ' 137' ' ' VAL . 3.6 mp -126.6 107.05 16.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -123.83 148.46 46.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.403 1.065 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.711 ' CD2' ' CE2' ' A' ' 221' ' ' TYR . 10.4 p90 -152.76 80.75 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 140' ' ' PHE . . . 55.79 112.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.69 -60.37 0.47 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 0.75 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.7 ' CG ' ' CE2' ' A' ' 140' ' ' PHE . 75.4 m-85 -65.9 147.23 53.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.95 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -160.27 113.28 2.09 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.62 HD21 ' CD2' ' A' ' 147' ' ' LEU . 8.9 tt -119.12 149.44 41.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.569 ' OD1' HG12 ' A' ' 137' ' ' VAL . 48.3 t30 -151.47 113.39 4.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.729 HD13 ' HG2' ' A' ' 170' ' ' LYS . 12.2 mt -78.56 -36.68 44.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -55.49 -24.54 39.01 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.471 1.107 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 18.8 m -115.98 -12.03 11.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 0.771 . . . . 0.0 110.428 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 57.46 48.72 14.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -150.13 121.0 7.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.412 ' SD ' ' C ' ' A' ' 152' ' ' MET . 0.4 OUTLIER -126.23 151.85 46.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.484 ' HA ' ' O ' ' A' ' 157' ' ' GLU . 0.0 OUTLIER -148.65 174.8 11.77 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.553 1.158 . . . . 0.0 111.044 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.57 ' HG3' ' CE1' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -153.33 91.95 1.55 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 61.47 72.26 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 110.363 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 56.03 68.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.17 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.484 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 44.1 tt0 -159.98 91.79 1.75 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 119.65 5.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.557 1.82 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' MET . . . . . 0.401 ' SD ' ' SD ' ' A' ' 152' ' ' MET . 3.2 ptp -149.98 122.36 4.22 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -175.79 2.54 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.483 1.78 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 5.5 mt -141.15 99.71 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.256 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' THR . . . . . 0.478 HG23 ' H ' ' A' ' 165' ' ' GLU . 12.9 t -39.26 155.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.387 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.8 m -46.98 -43.56 19.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.041 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.797 ' O ' HG23 ' A' ' 168' ' ' VAL . . . -56.81 -60.13 9.57 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.48 1.112 . . . . 0.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.524 ' HB3' HD21 ' A' ' 208' ' ' LEU . 25.2 mt-10 -57.3 -64.99 0.7 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.416 0.715 . . . . 0.0 110.257 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.521 ' CE1' ' HG3' ' A' ' 170' ' ' LYS . 6.0 t80 -42.52 -45.67 4.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -63.02 -47.0 84.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 164' ' ' GLY . 95.9 t -63.26 -56.97 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 1.015 HD23 HD22 ' A' ' 208' ' ' LEU . 0.2 OUTLIER -57.12 -27.84 62.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.112 . . . . 0.0 109.365 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 170' ' ' LYS . . . . . 0.729 ' HG2' HD13 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -63.59 -53.39 52.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -54.53 -53.28 56.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.463 HD22 ' HB2' ' A' ' 232' ' ' PHE . 0.5 OUTLIER -54.49 -45.81 73.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.615 1.197 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 25.1 t -70.37 -20.63 22.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 174' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 170' ' ' LYS . 1.0 OUTLIER -80.08 -20.35 45.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.622 1.201 . . . . 0.0 110.01 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 175' ' ' HIS . . . . . 0.593 ' CE1' ' HG3' ' A' ' 178' ' ' GLU . 0.2 OUTLIER -138.88 85.7 16.13 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.555 1.16 . . . . 0.0 109.595 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 122.91 7.48 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.4 1.737 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 73.53 29.98 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.593 ' HG3' ' CE1' ' A' ' 175' ' ' HIS . 6.1 mm-40 -131.74 107.35 14.16 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 179' ' ' PRO . . . . . 0.604 ' HB2' HD12 ' A' ' 228' ' ' LEU . 18.5 Cg_endo -75.0 124.03 8.32 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.475 1.776 . . . . 0.0 111.036 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 2.5 mp -132.78 117.27 17.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 90.6 p -44.5 146.65 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.044 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 182' ' ' ARG . . . . . 0.661 ' HB2' HD12 ' A' ' 201' ' ' ILE . 0.0 OUTLIER -49.78 -25.22 2.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.78 -32.63 73.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.52 -36.97 60.42 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.718 ' CD2' HG13 ' A' ' 168' ' ' VAL . 2.6 mp -55.04 -64.79 0.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 186' ' ' MET . . . . . 0.63 ' HB2' ' HB1' ' A' ' 196' ' ' ALA . 2.3 ppp? -54.97 -35.78 64.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 110.991 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -52.47 -41.91 63.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 42.0 tp -73.14 -32.08 64.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -96.87 27.96 3.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.37 89.99 3.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -157.23 52.33 0.41 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 63.98 57.62 1.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 0.747 . . . . 0.0 110.358 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -154.41 138.28 16.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 194' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -84.35 79.16 9.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.416 1.072 . . . . 0.0 111.05 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.65 -47.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.946 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.63 ' HB1' ' HB2' ' A' ' 186' ' ' MET . . . -57.31 -48.31 79.26 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -93.94 60.52 2.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 111.035 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.67 -57.02 3.02 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 9.8 ttm105 -174.29 46.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.078 . . . . 0.0 110.258 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.87 141.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.661 HD12 ' HB2' ' A' ' 182' ' ' ARG . 27.0 mt -70.18 -54.59 18.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.386 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 202' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 201' ' ' ILE . 3.0 t0 -40.22 -59.29 1.3 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 43.1 t -51.03 -58.3 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.219 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 204' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 208' ' ' LEU . 0.0 OUTLIER -50.87 -60.22 3.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.277 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.492 HG13 ' CD2' ' A' ' 230' ' ' TYR . 8.2 mm -42.82 -51.7 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 3.6 m -54.45 -41.9 69.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 207' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 204' ' ' GLN . 20.5 mmt85 -76.07 -22.01 56.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.226 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 208' ' ' LEU . . . . . 1.015 HD22 HD23 ' A' ' 169' ' ' LEU . 1.2 mt -80.38 -54.84 5.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 209' ' ' ARG . . . . . 0.694 ' HB3' HG21 ' A' ' 222' ' ' ILE . 0.0 OUTLIER -61.63 -24.38 66.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 110.335 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -74.08 -43.06 59.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.339 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 10.5 mtp -60.72 -52.19 66.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.08 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 212' ' ' VAL . . . . . . . . . . . . . 20.3 m -70.96 -44.39 75.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.218 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -129.14 99.95 5.44 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -86.54 54.11 3.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -102.8 114.05 65.52 Favored Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 124.396 1.06 . . . . 0.0 109.259 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.92 56.01 4.08 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.538 1.809 . . . . 0.0 111.029 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -158.62 -59.35 0.07 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.587 1.18 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 218' ' ' HIS . . . . . 0.417 ' HA ' ' HD3' ' A' ' 219' ' ' PRO . 1.1 p80 -174.86 138.78 0.62 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.583 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 219' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 218' ' ' HIS . 18.5 Cg_endo -74.99 -159.67 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.54 1.811 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.35 -53.44 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.711 ' CE2' ' CD2' ' A' ' 140' ' ' PHE . 13.5 m-85 -88.85 22.03 2.84 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 222' ' ' ILE . . . . . 0.694 HG21 ' HB3' ' A' ' 209' ' ' ARG . 17.7 mm -141.28 114.27 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.23 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 223' ' ' GLN . . . . . 0.668 ' HB2' HG13 ' A' ' 231' ' ' VAL . 5.7 mm-40 -119.59 105.45 11.22 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.558 1.161 . . . . 0.0 110.257 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 54.9 m -112.56 112.36 23.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.585 1.178 . . . . 0.0 110.368 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 225' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 229' ' ' GLY . 18.6 m -122.61 115.94 47.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -65.57 -22.15 66.67 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -71.21 -16.91 75.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.468 1.105 . . . . 0.0 111.056 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 228' ' ' LEU . . . . . 0.604 HD12 ' HB2' ' A' ' 179' ' ' PRO . 0.1 OUTLIER -131.88 -69.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 229' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 172.91 -112.24 0.42 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.52 1.137 . . . . 0.0 111.048 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 230' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 182' ' ' ARG . 24.6 m-85 -140.47 113.87 8.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 0.757 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 231' ' ' VAL . . . . . 0.668 HG13 ' HB2' ' A' ' 223' ' ' GLN . 13.1 p -119.5 154.97 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 221' ' ' TYR . 4.2 t80 -120.11 97.81 5.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 93.4 t -110.26 99.74 41.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.225 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 234' ' ' PRO . . . . . 0.567 ' HB3' ' CD2' ' A' ' 221' ' ' TYR . 18.4 Cg_endo -75.01 147.6 34.11 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.438 1.757 . . . . 0.0 111.004 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 64.24 174.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.409 1.068 . . . . 0.0 109.322 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -108.25 -155.13 17.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.536 1.148 . . . . 0.0 110.968 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 1.4 m 63.77 99.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.966 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.52 177.18 5.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.363 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.495 ' O ' HG22 ' A' ' 137' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.62 HG12 ' CG ' ' A' ' 146' ' ' ASN . 0.7 OUTLIER 50.72 174.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.758 ' HB ' HD22 ' A' ' 145' ' ' LEU . 4.4 mp -134.31 111.19 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.37 1.044 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.647 ' HB2' ' HG2' ' A' ' 144' ' ' LYS . . . -121.01 156.43 32.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.603 ' HE1' HG22 ' A' ' 138' ' ' ILE . 2.3 m-85 -122.08 -179.59 4.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -37.86 -67.32 0.5 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.558 1.162 . . . . 0.0 111.036 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.31 38.33 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 0.806 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.571 ' HB3' ' CD2' ' A' ' 140' ' ' PHE . 1.6 t80 -141.42 166.48 24.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.647 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 1.0 OUTLIER -157.47 124.78 5.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 1.08 HD21 ' CD1' ' A' ' 147' ' ' LEU . 0.4 OUTLIER -139.99 158.42 44.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.741 ' N ' HD23 ' A' ' 145' ' ' LEU . 52.5 t-20 -158.08 117.47 3.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.245 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 1.08 ' CD1' HD21 ' A' ' 145' ' ' LEU . 7.1 mp -77.15 -46.63 22.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -52.93 -20.12 7.9 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.457 1.098 . . . . 0.0 110.979 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' THR . . . . . 0.404 ' O ' ' CB ' ' A' ' 150' ' ' ARG . 4.3 m -113.03 -36.14 5.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.746 . . . . 0.0 110.398 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.492 ' HG3' ' CD2' ' A' ' 166' ' ' PHE . 0.1 OUTLIER 77.88 40.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.294 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -144.19 114.09 7.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.574 1.172 . . . . 0.0 110.327 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.758 ' HG2' HD11 ' A' ' 161' ' ' LEU . 0.1 OUTLIER -126.8 152.93 46.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.516 ' CD1' ' N ' ' A' ' 153' ' ' PHE . 0.1 OUTLIER -128.61 173.73 10.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.394 1.059 . . . . 0.0 111.04 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.566 ' HB3' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -159.76 121.14 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 110.264 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 54.01 41.1 32.16 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.571 1.169 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 4.5 t70 70.11 50.67 0.43 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.152 . . . . 0.0 109.317 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 0.1 OUTLIER -154.43 104.11 2.38 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.07 . . . . 0.0 110.202 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 139.46 24.04 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.508 1.794 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' MET . . . . . 0.465 ' CG ' ' SD ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -140.23 145.16 40.38 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 111.028 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.15 174.09 13.39 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.782 . . . . 0.0 110.914 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.758 HD11 ' HG2' ' A' ' 152' ' ' MET . 8.7 mt -134.72 111.06 9.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' THR . . . . . 0.565 HG22 ' H ' ' A' ' 164' ' ' GLY . 7.2 m -62.34 143.13 57.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.396 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 10.5 m -40.08 -37.02 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.958 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.565 ' H ' HG22 ' A' ' 162' ' ' THR . . . -70.36 -56.26 7.91 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.863 ' HB3' HD21 ' A' ' 208' ' ' LEU . 6.6 mt-10 -54.1 -63.21 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.36 0.682 . . . . 0.0 110.238 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.529 ' CE2' ' HA ' ' A' ' 147' ' ' LEU . 5.8 t80 -46.54 -53.53 11.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -55.49 -60.92 2.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.657 HG22 HD13 ' A' ' 201' ' ' ILE . 37.9 t -50.8 -60.38 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.72 HD13 HD22 ' A' ' 208' ' ' LEU . 0.8 OUTLIER -49.89 -45.06 50.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 170' ' ' LYS . . . . . 0.598 ' HG3' HD23 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -52.85 -58.97 5.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 109.254 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.423 ' HA ' HD22 ' A' ' 188' ' ' LEU . . . -57.24 -23.92 51.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.637 HD13 HD21 ' A' ' 185' ' ' LEU . 6.4 tp -79.49 -49.53 12.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 170' ' ' LYS . 5.5 p -80.04 0.15 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 174' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 170' ' ' LYS . 40.7 t -84.23 -28.25 27.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.095 . . . . 0.0 110.018 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -125.35 92.37 47.17 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.521 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 132.57 15.53 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.456 1.766 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.424 ' O ' HG21 ' A' ' 231' ' ' VAL . 0.4 OUTLIER 72.87 -58.32 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -57.28 109.45 1.75 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.155 . . . . 0.0 110.344 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 179' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 140.58 25.51 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.508 1.794 . . . . 0.0 111.0 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.614 HD23 ' HB3' ' A' ' 184' ' ' LYS . 2.8 mp -124.56 154.31 40.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 181' ' ' SER . . . . . 0.66 ' O ' HD12 ' A' ' 185' ' ' LEU . 51.8 p -74.54 161.08 30.09 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.548 1.155 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -37.88 63.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.84 -49.46 38.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 184' ' ' LYS . . . . . 0.614 ' HB3' HD23 ' A' ' 180' ' ' LEU . 11.0 mmtm -49.2 -27.14 3.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.064 . . . . 0.0 109.237 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 181' ' ' SER . 2.6 mp -70.56 -62.64 1.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.362 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 186' ' ' MET . . . . . 0.407 ' HG3' ' N ' ' A' ' 187' ' ' ASN . 1.7 ppp? -64.93 -18.37 65.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.59 1.182 . . . . 0.0 111.016 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 187' ' ' ASN . . . . . 0.407 ' N ' ' HG3' ' A' ' 186' ' ' MET . 2.5 t30 -79.86 -53.47 6.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.384 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 171' ' ' ALA . 9.8 tt -51.51 -54.0 31.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -49.78 -58.98 4.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.81 89.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.26 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -117.92 129.28 8.18 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.41 1.069 . . . . 0.0 111.043 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -84.94 53.34 2.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 0.784 . . . . 0.0 110.357 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.86 53.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 194' ' ' TYR . . . . . 0.41 ' CE2' ' HG2' ' A' ' 198' ' ' GLU . 17.1 t80 37.57 61.67 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.937 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 30.7 t -142.47 75.46 1.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.032 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -173.4 -41.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 197' ' ' MET . . . . . 0.443 ' HE3' ' O ' ' A' ' 199' ' ' ARG . 0.0 OUTLIER -143.95 65.57 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 110.966 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 198' ' ' GLU . . . . . 0.41 ' HG2' ' CE2' ' A' ' 194' ' ' TYR . 1.8 tt0 -56.74 -42.73 79.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 199' ' ' ARG . . . . . 0.443 ' O ' ' HE3' ' A' ' 197' ' ' MET . 0.4 OUTLIER -131.51 -55.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.27 148.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 110.014 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.657 HD13 HG22 ' A' ' 168' ' ' VAL . 2.5 mm -61.65 -59.11 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.405 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -46.36 -31.15 2.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 69.7 t -79.7 -50.39 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.122 . . . . 0.0 109.401 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 204' ' ' GLN . . . . . 0.454 ' CB ' HG21 ' A' ' 168' ' ' VAL . 1.3 tp60 -59.32 -38.82 81.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.483 HG13 ' CD1' ' A' ' 230' ' ' TYR . 21.3 mm -63.12 -62.41 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.366 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 3.9 t -44.99 -53.25 7.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.043 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -58.19 -27.59 64.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 208' ' ' LEU . . . . . 0.863 HD21 ' HB3' ' A' ' 165' ' ' GLU . 15.8 mt -80.13 -54.56 5.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 209' ' ' ARG . . . . . 0.694 ' HG2' HG21 ' A' ' 222' ' ' ILE . 19.1 mtm105 -42.47 -47.65 5.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.358 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -34.5 73.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 211' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 208' ' ' LEU . 0.0 OUTLIER -69.05 -57.31 5.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 212' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 208' ' ' LEU . 34.9 m -72.1 -35.6 53.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 209' ' ' ARG . 14.4 mm-40 -128.1 92.75 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 11.5 pm0 -80.03 54.11 1.84 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.55 108.33 45.34 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 109.245 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 55.46 3.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.57 1.826 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -154.01 -58.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.252 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 218' ' ' HIS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 219' ' ' PRO . 9.5 t-80 -177.22 136.75 0.4 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 109.641 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 219' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 218' ' ' HIS . 18.2 Cg_endo -75.02 -159.57 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.44 1.758 . . . . 0.0 110.989 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.7 -46.88 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.425 1.078 . . . . 0.0 110.348 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.678 ' O ' HD13 ' A' ' 222' ' ' ILE . 34.5 m-85 -88.46 20.19 3.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 222' ' ' ILE . . . . . 0.694 HG21 ' HG2' ' A' ' 209' ' ' ARG . 16.8 mm -143.6 115.59 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 223' ' ' GLN . . . . . 0.517 ' O ' HG12 ' A' ' 231' ' ' VAL . 0.7 OUTLIER -119.45 93.12 3.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 224' ' ' THR . . . . . 0.566 HG23 ' CE1' ' A' ' 230' ' ' TYR . 36.3 m -84.41 119.03 24.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 225' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 229' ' ' GLY . 30.1 m -129.47 125.57 61.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 6.4 m-90 -66.1 -46.42 77.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -44.81 -25.52 0.94 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.18 -80.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 0.801 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 229' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 176.55 -91.29 0.08 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.477 1.111 . . . . 0.0 111.046 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 230' ' ' TYR . . . . . 0.642 ' CE2' HG22 ' A' ' 201' ' ' ILE . 83.8 m-85 -149.91 121.84 8.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 111.003 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 231' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 223' ' ' GLN . 4.8 p -119.36 155.31 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.62 ' CD2' HD23 ' A' ' 172' ' ' LEU . 1.5 t80 -119.71 98.56 6.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 54.0 t -109.11 101.06 43.45 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 234' ' ' PRO . . . . . 0.498 ' HA ' ' CD2' ' A' ' 221' ' ' TYR . 18.3 Cg_endo -75.07 -177.8 3.74 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.42 1.747 . . . . 0.0 111.06 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.42 88.87 7.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 0.0 109.235 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -155.65 -154.34 6.91 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.408 1.068 . . . . 0.0 110.987 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 23.9 p -153.24 -58.75 0.13 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.559 0.8 . . . . 0.0 110.032 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.51 -66.27 0.92 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.493 1.12 . . . . 0.0 109.388 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.945 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.467 ' C ' HG13 ' A' ' 137' ' ' VAL . . . . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.551 HG23 ' N ' ' A' ' 138' ' ' ILE . 0.9 OUTLIER 52.31 175.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.607 ' HB ' HD22 ' A' ' 145' ' ' LEU . 28.9 mm -147.85 116.76 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.464 ' HB1' ' HG2' ' A' ' 144' ' ' LYS . . . -120.82 160.91 22.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.579 ' CD1' ' HB2' ' A' ' 143' ' ' PHE . 3.6 m-85 -126.75 -178.81 4.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.94 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.85 -9.44 46.21 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.481 1.113 . . . . 0.0 111.081 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.485 ' HG3' ' CD1' ' A' ' 143' ' ' PHE . 1.9 ptmt -144.09 -48.25 0.28 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 0.779 . . . . 0.0 109.239 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.592 ' CE2' ' O ' ' A' ' 212' ' ' VAL . 48.7 m-85 -75.9 172.17 13.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.534 ' HB3' ' CD2' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -158.86 111.18 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.607 HD22 ' HB ' ' A' ' 138' ' ' ILE . 3.1 tt -119.57 148.83 42.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.616 1.197 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -160.89 114.99 2.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.357 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.751 HD13 ' CG ' ' A' ' 170' ' ' LYS . 10.1 mt -82.3 -35.62 27.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.294 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -62.37 -19.22 59.59 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 55.4 m -116.86 -10.7 10.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 110.357 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 54.47 49.88 17.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 110.366 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -148.66 120.36 8.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.555 ' C ' ' CD1' ' A' ' 153' ' ' PHE . 0.2 OUTLIER -130.29 148.04 52.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.391 1.057 . . . . 0.0 110.931 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -143.45 -179.74 6.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 111.016 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -157.63 101.41 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 55.56 70.23 0.65 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.25 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 54.25 65.56 1.48 Allowed 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.466 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 1.0 OUTLIER -159.47 92.79 1.81 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.33 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 129.86 12.84 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.456 1.766 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' MET . . . . . 0.441 ' HE3' ' CG ' ' A' ' 211' ' ' MET . 0.1 OUTLIER -157.52 138.09 9.16 Favored Pre-proline 0 C--N 1.323 -0.553 0 O-C-N 124.471 1.107 . . . . 0.0 111.078 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 160' ' ' PRO . . . . . 0.457 ' O ' HD23 ' A' ' 161' ' ' LEU . 17.9 Cg_endo -75.03 -171.21 0.92 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.571 1.827 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 160' ' ' PRO . 80.9 mt -148.49 102.09 3.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 162' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 165' ' ' GLU . 4.5 t -42.15 143.42 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 167' ' ' ALA . 9.0 m -39.84 -46.53 1.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.967 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -53.47 -47.04 64.06 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.563 1.165 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 162' ' ' THR . 41.3 mt-10 -73.86 -65.14 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.795 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.458 ' C ' ' CD1' ' A' ' 166' ' ' PHE . 4.0 t80 -43.94 -50.23 8.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.506 ' HB1' ' HB1' ' A' ' 189' ' ' ALA . . . -58.64 -60.2 4.2 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.496 ' O ' ' HB3' ' A' ' 171' ' ' ALA . 9.9 t -51.92 -61.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.443 1.09 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.748 HD13 ' C ' ' A' ' 169' ' ' LEU . 1.1 tm? -45.14 -43.71 10.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 170' ' ' LYS . . . . . 0.751 ' CG ' HD13 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -58.03 -39.37 78.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 168' ' ' VAL . . . -57.37 -54.49 46.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.489 HD22 ' HB2' ' A' ' 232' ' ' PHE . 0.3 OUTLIER -59.01 -40.23 84.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.221 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 24.5 t -74.6 -13.64 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.343 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 174' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 170' ' ' LYS . 7.5 t -79.21 -33.24 43.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.939 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 175' ' ' HIS . . . . . 0.432 ' HB3' ' CB ' ' A' ' 178' ' ' GLU . 11.8 m80 -123.03 88.01 50.97 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.179 . . . . 0.0 109.584 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 118.58 5.33 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 0.0 111.059 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 74.0 22.29 2.42 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.432 ' CB ' ' HB3' ' A' ' 175' ' ' HIS . 1.9 mm-40 -126.67 119.91 22.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 110.243 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 179' ' ' PRO . . . . . 0.55 ' HB2' HD12 ' A' ' 228' ' ' LEU . 18.3 Cg_endo -75.07 150.49 37.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.524 1.802 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.486 ' O ' ' CD1' ' A' ' 185' ' ' LEU . 1.6 mp -158.03 136.16 10.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.432 1.083 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 12.0 p -67.65 145.29 54.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 182' ' ' ARG . . . . . 0.512 ' HB3' ' CE1' ' A' ' 230' ' ' TYR . 0.1 OUTLIER -48.18 -24.38 1.13 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -69.16 -50.26 49.36 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.504 1.127 . . . . 0.0 109.221 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 184' ' ' LYS . . . . . 0.484 ' CG ' HD23 ' A' ' 180' ' ' LEU . 13.8 tptt -75.13 -31.66 61.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.365 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.486 ' CD1' ' O ' ' A' ' 180' ' ' LEU . 0.0 OUTLIER -57.95 -58.76 6.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.615 1.197 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 186' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 187' ' ' ASN . 4.0 ptt? -66.49 -33.42 75.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 187' ' ' ASN . . . . . 0.413 ' N ' ' HG3' ' A' ' 186' ' ' MET . 22.8 t-20 -66.21 -55.25 17.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 4.5 tp -52.31 -40.44 61.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.596 1.185 . . . . 0.0 109.282 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 189' ' ' ALA . . . . . 0.506 ' HB1' ' HB1' ' A' ' 167' ' ' ALA . . . -55.02 -65.06 0.65 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 38.98 88.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.301 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -91.73 22.21 32.11 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 15.9 ttt-85 57.4 41.59 26.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.78 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -166.82 176.68 6.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 194' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -90.12 62.88 5.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 44.5 t -99.31 -48.59 4.75 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.449 1.093 . . . . 0.0 109.942 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -44.32 -42.82 7.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.51 43.41 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.382 1.051 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 31.4 tp10 -125.36 -51.59 1.63 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.499 1.125 . . . . 0.0 110.391 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 199' ' ' ARG . . . . . 0.587 ' HD3' HH21 ' A' ' 207' ' ' ARG . 0.3 OUTLIER -140.07 102.68 4.44 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.361 1.038 . . . . 0.0 110.199 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.14 151.6 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.074 . . . . 0.0 109.946 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.483 HD12 ' CD2' ' A' ' 185' ' ' LEU . 4.9 mm -54.2 -56.82 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.29 -35.4 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 87.7 t -80.13 -44.2 22.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 204' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 201' ' ' ILE . 30.7 mm-40 -62.24 -58.99 5.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.37 1.044 . . . . 0.0 110.3 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 205' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -52.34 -33.49 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 29.5 t -67.74 -41.22 83.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 207' ' ' ARG . . . . . 0.587 HH21 ' HD3' ' A' ' 199' ' ' ARG . 8.3 mtm180 -75.92 -28.33 57.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.219 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 208' ' ' LEU . . . . . 0.681 ' O ' HG22 ' A' ' 212' ' ' VAL . 14.1 mt -74.49 -43.84 54.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.581 1.176 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 209' ' ' ARG . . . . . 0.435 ' CG ' HG21 ' A' ' 222' ' ' ILE . 4.0 mtp180 -56.95 -49.11 76.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.342 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -19.89 62.55 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.604 1.19 . . . . 0.0 110.301 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 211' ' ' MET . . . . . 0.441 ' CG ' ' HE3' ' A' ' 159' ' ' MET . 36.9 ttm -78.82 -48.98 13.73 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 212' ' ' VAL . . . . . 0.822 HG23 ' HG2' ' A' ' 213' ' ' GLU . 25.2 m -80.71 -33.65 13.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.822 ' HG2' HG23 ' A' ' 212' ' ' VAL . 17.1 mm-40 -136.59 -149.45 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.242 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 214' ' ' GLU . . . . . 0.408 ' C ' ' CG ' ' A' ' 215' ' ' ASP . 1.3 tt0 -120.14 -34.64 3.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 215' ' ' ASP . . . . . 0.439 ' N ' ' HD3' ' A' ' 216' ' ' PRO . 0.2 OUTLIER 47.51 63.35 10.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.28 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 216' ' ' PRO . . . . . 0.445 ' O ' ' HB2' ' A' ' 217' ' ' ALA . 18.0 Cg_endo -75.02 -0.03 9.48 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 216' ' ' PRO . . . 177.93 -36.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -155.82 120.89 2.49 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.607 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -159.55 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.56 1.821 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -137.23 -50.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.244 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.562 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 26.9 m-85 -90.02 20.02 4.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.586 1.179 . . . . 0.0 110.97 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 222' ' ' ILE . . . . . 0.513 HD13 ' O ' ' A' ' 221' ' ' TYR . 31.4 mm -144.89 116.64 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 223' ' ' GLN . . . . . 0.738 ' O ' HG12 ' A' ' 231' ' ' VAL . 0.1 OUTLIER -119.72 80.06 1.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.168 . . . . 0.0 110.23 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 98.7 m -74.58 123.88 25.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 225' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 229' ' ' GLY . 2.2 p -131.31 112.23 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 226' ' ' TRP . . . . . 0.453 ' O ' ' N ' ' A' ' 228' ' ' LEU . 0.8 OUTLIER -58.45 -56.33 23.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 108.012 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -37.51 -30.76 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.448 1.092 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 228' ' ' LEU . . . . . 0.55 HD12 ' HB2' ' A' ' 179' ' ' PRO . 1.0 OUTLIER -115.08 -85.65 0.61 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 0.756 . . . . 0.0 109.298 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 229' ' ' GLY . . . . . 0.594 ' C ' ' CD1' ' A' ' 230' ' ' TYR . . . -173.74 -94.19 0.09 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 230' ' ' TYR . . . . . 0.594 ' CD1' ' C ' ' A' ' 229' ' ' GLY . 35.6 m-85 -151.25 119.53 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 231' ' ' VAL . . . . . 0.738 HG12 ' O ' ' A' ' 223' ' ' GLN . 2.9 p -119.33 157.66 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 1.5 t80 -122.11 100.36 6.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 53.1 t -112.63 96.24 35.96 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 178.09 7.72 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 1.9 t70 56.02 100.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -38.74 136.48 1.1 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.127 . . . . 0.0 110.973 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 21.4 t -159.73 -59.22 0.06 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.561 0.801 . . . . 0.0 109.931 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.18 158.33 16.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.607 1.192 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.567 1.167 . . . . 0.0 109.328 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.641 ' C ' HG13 ' A' ' 137' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.651 HG23 ' N ' ' A' ' 138' ' ' ILE . 1.4 m 59.89 178.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.651 ' N ' HG23 ' A' ' 137' ' ' VAL . 5.3 mp -134.62 110.47 13.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.408 1.068 . . . . 0.0 109.301 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 143' ' ' PHE . . . -129.41 152.51 48.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.734 ' CE2' ' CG ' ' A' ' 143' ' ' PHE . 3.2 p90 -160.18 123.52 3.52 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.475 1.109 . . . . 0.0 110.952 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 64.11 -88.84 0.08 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -123.96 0.23 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.598 0.822 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.734 ' CG ' ' CE2' ' A' ' 140' ' ' PHE . 98.6 m-85 -94.97 138.51 32.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.57 ' HG3' ' CD2' ' A' ' 153' ' ' PHE . 0.3 OUTLIER -147.32 110.26 4.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.734 HD12 ' SD ' ' A' ' 152' ' ' MET . 4.3 tt -119.79 148.06 43.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.416 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 46.5 t-20 -150.86 114.82 5.01 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.469 1.106 . . . . 0.0 109.226 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.962 HD13 ' HG3' ' A' ' 170' ' ' LYS . 10.0 mt -75.61 -43.17 49.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.409 1.068 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -50.7 -26.12 10.17 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 98.4 m -117.16 -11.26 10.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 0.784 . . . . 0.0 110.343 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 16.5 ttp85 53.61 50.06 18.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -144.06 116.38 8.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.341 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.734 ' SD ' HD12 ' A' ' 145' ' ' LEU . 12.8 ttt -132.36 149.71 52.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.387 1.055 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.57 ' CD2' ' HG3' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -147.23 179.46 7.62 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.567 ' HG3' ' CE1' ' A' ' 143' ' ' PHE . 0.1 OUTLIER -160.13 104.01 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.202 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 57.22 67.91 0.92 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.482 1.114 . . . . 0.0 110.254 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 5.3 t70 53.4 65.67 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.434 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -156.98 91.62 2.44 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.113 . . . . 0.0 110.247 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 124.93 8.98 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.557 1.819 . . . . 0.0 110.986 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' MET . . . . . 0.418 ' HA ' ' HD3' ' A' ' 160' ' ' PRO . 0.0 OUTLIER -149.28 138.81 12.83 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.436 1.085 . . . . 0.0 110.953 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 160' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 159' ' ' MET . 18.1 Cg_endo -75.1 -163.29 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.403 1.738 . . . . 0.0 110.948 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.663 HD23 ' HE1' ' A' ' 211' ' ' MET . 1.7 mt -141.45 102.99 4.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 161' ' ' LEU . 9.7 m -38.42 152.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 110.387 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 9.0 m -50.72 -37.25 40.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 109.946 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -79.34 -49.2 6.37 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.523 1.139 . . . . 0.0 111.054 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.59 ' HA ' HD21 ' A' ' 208' ' ' LEU . 1.9 mt-10 -53.9 -62.29 1.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 110.276 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 147' ' ' LEU . 6.1 t80 -50.42 -54.52 21.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.507 ' HB1' ' HB1' ' A' ' 189' ' ' ALA . . . -57.37 -59.97 4.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.796 HG11 ' HB3' ' A' ' 204' ' ' GLN . 14.5 t -46.11 -47.46 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.359 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.754 HD13 HD12 ' A' ' 208' ' ' LEU . 14.8 tp -64.96 -48.76 72.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 170' ' ' LYS . . . . . 0.962 ' HG3' HD13 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -51.19 -36.81 43.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.609 1.193 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.411 ' HB1' ' HA ' ' A' ' 185' ' ' LEU . . . -64.95 -44.0 90.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.6 -48.85 45.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 11.5 t -65.56 -19.72 26.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.24 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.84 -35.17 79.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.052 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 175' ' ' HIS . . . . . 0.415 ' CB ' HD11 ' A' ' 180' ' ' LEU . 0.1 OUTLIER -128.81 92.31 40.5 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.614 1.196 . . . . 0.0 109.59 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 176' ' ' PRO . . . . . 0.466 ' O ' ' CB ' ' A' ' 177' ' ' ARG . 18.4 Cg_endo -74.97 111.19 3.27 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.533 1.807 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.466 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 6.2 ttp-105 81.53 30.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.35 114.93 12.6 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 179' ' ' PRO . . . . . 0.91 ' CB ' HD13 ' A' ' 228' ' ' LEU . 18.5 Cg_endo -74.86 134.93 18.69 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.404 1.739 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.426 HD22 HD22 ' A' ' 188' ' ' LEU . 1.2 mp -135.05 164.71 27.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 181' ' ' SER . . . . . 0.557 ' O ' HD12 ' A' ' 185' ' ' LEU . 13.0 t -84.13 153.05 23.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.594 1.184 . . . . 0.0 110.008 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 182' ' ' ARG . . . . . 0.51 ' O ' ' CD1' ' A' ' 201' ' ' ILE . 1.3 mpp_? -52.18 -35.8 49.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.404 1.065 . . . . 0.0 110.288 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -72.97 -34.96 66.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 109.263 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -65.34 -41.98 93.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.359 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.647 ' HB2' HD13 ' A' ' 201' ' ' ILE . 3.5 mp -54.24 -63.11 1.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 186' ' ' MET . . . . . 0.496 ' CE ' ' HA ' ' A' ' 197' ' ' MET . 25.6 ttt -39.93 -44.24 1.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.995 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -73.86 -54.53 7.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.426 HD22 HD22 ' A' ' 180' ' ' LEU . 1.9 tp -42.1 -45.35 3.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 189' ' ' ALA . . . . . 0.507 ' HB1' ' HB1' ' A' ' 167' ' ' ALA . . . -48.25 -59.14 3.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.12 100.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -79.56 79.88 1.61 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.496 1.122 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.44 -47.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 0.733 . . . . 0.0 110.251 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -144.65 144.4 31.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 194' ' ' TYR . . . . . 0.569 ' CD1' ' C ' ' A' ' 194' ' ' TYR . 0.1 OUTLIER 177.19 -63.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 195' ' ' SER . . . . . 0.563 ' O ' ' HB3' ' A' ' 196' ' ' ALA . 45.7 t -172.42 33.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.594 1.184 . . . . 0.0 109.978 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 195' ' ' SER . . . 74.73 -80.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 197' ' ' MET . . . . . 0.496 ' HA ' ' CE ' ' A' ' 186' ' ' MET . 69.4 mtp -157.79 29.87 0.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.963 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 198' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 197' ' ' MET . 1.8 tp10 -37.56 -44.09 0.65 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 199' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 198' ' ' GLU . 15.3 ttt180 40.54 92.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.361 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 200' ' ' SER . . . . . 0.642 ' OG ' HG21 ' A' ' 203' ' ' VAL . 0.6 OUTLIER -155.82 74.84 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.401 1.063 . . . . 0.0 109.993 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.647 HD13 ' HB2' ' A' ' 185' ' ' LEU . 62.2 mt -93.4 -60.88 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.65 -45.32 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 203' ' ' VAL . . . . . 0.642 HG21 ' OG ' ' A' ' 200' ' ' SER . 10.2 m -67.65 -33.77 63.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 204' ' ' GLN . . . . . 0.796 ' HB3' HG11 ' A' ' 168' ' ' VAL . 0.1 OUTLIER -71.65 -47.38 54.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 110.243 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.56 HG13 ' CD1' ' A' ' 230' ' ' TYR . 22.7 mm -39.96 -31.94 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.374 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 206' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 204' ' ' GLN . 0.2 OUTLIER -79.94 -55.11 5.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.087 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 207' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 211' ' ' MET . 35.9 mmt180 -58.21 -30.25 66.34 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.098 . . . . 0.0 110.265 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 208' ' ' LEU . . . . . 0.789 ' O ' HG22 ' A' ' 212' ' ' VAL . 3.8 mm? -79.94 -50.08 10.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 209' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 213' ' ' GLU . 20.1 ttm180 -51.76 -53.36 40.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.444 1.09 . . . . 0.0 110.235 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -65.17 -35.02 79.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 211' ' ' MET . . . . . 0.663 ' HE1' HD23 ' A' ' 161' ' ' LEU . 26.1 mtp -63.62 -50.86 67.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 111.066 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 212' ' ' VAL . . . . . 0.789 HG22 ' O ' ' A' ' 208' ' ' LEU . 21.6 m -79.5 -24.6 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.229 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.745 ' HG2' HG23 ' A' ' 212' ' ' VAL . 2.1 mm-40 -111.27 -147.43 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.06 -45.82 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.617 1.198 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.3 110.36 54.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 55.7 3.98 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.425 1.75 . . . . 0.0 111.056 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -149.69 -46.52 0.13 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.04 92.44 26.22 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.653 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -159.71 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.483 1.78 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.79 -55.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.596 1.185 . . . . 0.0 110.325 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.563 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 79.2 m-85 -95.15 21.43 7.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 222' ' ' ILE . . . . . . . . . . . . . 17.9 mt -152.94 117.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.618 1.199 . . . . 0.0 109.185 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 223' ' ' GLN . . . . . 0.69 ' O ' HG12 ' A' ' 231' ' ' VAL . 2.2 mm-40 -125.33 108.98 12.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 224' ' ' THR . . . . . 0.439 ' C ' ' CG2' ' A' ' 225' ' ' VAL . 1.0 OUTLIER -76.93 153.28 34.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.621 1.201 . . . . 0.0 110.39 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 225' ' ' VAL . . . . . 0.656 HG11 HD12 ' A' ' 228' ' ' LEU . 2.2 t -150.85 116.07 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.437 1.086 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -65.72 -45.92 80.86 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -54.26 -39.06 63.33 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.415 1.072 . . . . 0.0 111.024 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 228' ' ' LEU . . . . . 0.91 HD13 ' CB ' ' A' ' 179' ' ' PRO . 4.8 mt -102.52 -82.86 0.48 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.417 0.716 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 229' ' ' GLY . . . . . 0.593 ' O ' ' CD1' ' A' ' 230' ' ' TYR . . . 175.4 -75.0 0.08 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 230' ' ' TYR . . . . . 0.605 ' CD2' HG21 ' A' ' 201' ' ' ILE . 60.8 m-85 -160.1 122.03 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 110.952 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 231' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 223' ' ' GLN . 9.6 p -119.72 152.7 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 4.9 t80 -119.86 97.53 5.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.583 1.177 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 41.1 t -106.52 104.07 49.05 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.25 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 176.55 9.78 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.54 1.811 . . . . 0.0 110.998 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -41.83 144.62 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -159.35 164.05 33.74 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.451 1.094 . . . . 0.0 111.088 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.17 143.61 3.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 0.78 . . . . 0.0 109.969 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -91.76 139.24 30.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.586 ' C ' HG13 ' A' ' 137' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.586 HG13 ' C ' ' A' ' 136' ' ' ALA . 1.4 m 56.33 166.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.414 ' N ' HG23 ' A' ' 137' ' ' VAL . 16.2 mm -132.07 108.24 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.542 ' HB2' ' HG2' ' A' ' 144' ' ' LYS . . . -119.8 161.94 19.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 143' ' ' PHE . 4.4 m-85 -126.27 -179.47 4.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 111.065 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -59.29 -15.02 29.06 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.566 1.166 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -138.63 -49.88 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.564 ' HB2' ' CD1' ' A' ' 140' ' ' PHE . 13.0 m-85 -74.07 161.14 30.34 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.537 1.148 . . . . 0.0 111.073 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.542 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 0.1 OUTLIER -150.33 110.18 4.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.89 HD12 ' HG3' ' A' ' 152' ' ' MET . 7.5 tt -119.61 157.34 28.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.44 ' ND2' HG12 ' A' ' 137' ' ' VAL . 0.6 OUTLIER -160.47 117.86 2.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 0.0 109.335 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.765 HD13 ' HG2' ' A' ' 170' ' ' LYS . 22.8 mt -76.79 -45.57 28.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -56.84 -21.73 38.17 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 96.8 m -113.56 -9.31 13.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.766 . . . . 0.0 110.382 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.52 53.55 9.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.464 ' HB3' ' CE1' ' A' ' 153' ' ' PHE . 3.8 mt-10 -152.76 121.04 6.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.419 1.074 . . . . 0.0 110.296 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.89 ' HG3' HD12 ' A' ' 145' ' ' LEU . 1.1 tmt? -125.95 144.9 50.51 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -148.99 150.59 33.09 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.422 1.077 . . . . 0.0 110.932 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 155' ' ' GLU . 0.8 OUTLIER -119.84 100.21 7.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 110.28 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.526 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 0.3 OUTLIER 87.74 -30.95 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 155' ' ' GLU . 0.2 OUTLIER 161.86 -28.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.351 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 1.1 tp10 -61.1 126.25 85.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.257 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 131.61 14.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 152' ' ' MET . 8.1 mmm -130.93 107.24 15.2 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 111.053 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 157.65 42.44 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.436 1.756 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.557 HD12 ' HB2' ' A' ' 166' ' ' PHE . 0.2 OUTLIER -141.45 103.68 4.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 81.6 m -50.75 164.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 68.6 m -49.12 -53.74 19.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.927 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.654 ' O ' HG23 ' A' ' 168' ' ' VAL . . . -50.49 -57.76 10.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.526 1.141 . . . . 0.0 111.059 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.11 -50.1 70.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.506 0.768 . . . . 0.0 110.255 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 147' ' ' LEU . 1.3 t80 -60.01 -40.8 90.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.482 ' HB1' ' HB1' ' A' ' 189' ' ' ALA . . . -65.63 -41.66 92.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 164' ' ' GLY . 72.3 t -63.78 -57.3 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.475 HD13 HD22 ' A' ' 208' ' ' LEU . 0.6 OUTLIER -60.88 -20.25 61.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 170' ' ' LYS . . . . . 0.765 ' HG2' HD13 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -70.81 -59.34 2.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -47.68 -48.98 28.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.606 HD22 ' HB2' ' A' ' 232' ' ' PHE . 1.4 mt -59.32 -46.81 87.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.238 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 169' ' ' LEU . 26.6 t -70.88 -10.94 14.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.228 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 174' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 170' ' ' LYS . 0.1 OUTLIER -91.11 0.03 57.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.962 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 175' ' ' HIS . . . . . 0.452 ' CE1' ' HG2' ' A' ' 178' ' ' GLU . 0.2 OUTLIER -154.66 89.4 3.21 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.6 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 126.69 10.18 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 2.4 ttm105 58.17 46.94 15.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.452 ' HG2' ' CE1' ' A' ' 175' ' ' HIS . 0.9 OUTLIER -147.15 117.07 4.45 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 179' ' ' PRO . . . . . 0.583 ' O ' HD12 ' A' ' 180' ' ' LEU . 18.5 Cg_endo -74.97 146.11 32.39 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.484 1.781 . . . . 0.0 111.087 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 179' ' ' PRO . 0.5 OUTLIER -147.79 119.45 8.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.26 158.81 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.032 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 182' ' ' ARG . . . . . 0.747 ' HG2' HD12 ' A' ' 201' ' ' ILE . 0.1 OUTLIER -59.69 -20.35 55.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.64 -46.9 18.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.4 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -65.08 -52.22 56.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.598 1.186 . . . . 0.0 109.305 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.522 HD13 ' HB2' ' A' ' 230' ' ' TYR . 0.3 OUTLIER -45.78 -51.21 13.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 2.7 tpt -57.02 -59.48 5.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -43.26 -46.7 6.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 1.072 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.438 ' HA ' HD23 ' A' ' 188' ' ' LEU . 0.5 OUTLIER -57.57 -60.92 2.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 189' ' ' ALA . . . . . 0.482 ' HB1' ' HB1' ' A' ' 167' ' ' ALA . . . -52.05 -55.17 22.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 190' ' ' ARG . . . . . 0.478 ' HG3' ' HB2' ' A' ' 196' ' ' ALA . 0.0 OUTLIER -64.13 76.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.26 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 191' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 189' ' ' ALA . . . -126.4 -64.35 0.16 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.542 1.152 . . . . 0.0 111.033 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.99 53.92 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.787 . . . . 0.0 110.272 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -168.45 151.08 5.28 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.52 1.137 . . . . 0.0 110.358 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 194' ' ' TYR . . . . . 0.436 ' CG ' ' O ' ' A' ' 194' ' ' TYR . 17.7 t80 -72.29 79.37 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 34.4 t -141.87 50.93 1.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.478 ' HB2' ' HG3' ' A' ' 190' ' ' ARG . . . -123.93 -55.48 1.69 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 109.229 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.67 -40.22 1.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.99 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.72 -62.8 1.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.257 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 44.39 92.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 200' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 202' ' ' ASP . 2.3 t -170.74 -58.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 110.054 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.747 HD12 ' HG2' ' A' ' 182' ' ' ARG . 50.2 mt 65.92 -74.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 202' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 200' ' ' SER . 0.0 OUTLIER -40.28 -31.32 0.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.399 1.062 . . . . 0.0 109.285 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 203' ' ' VAL . . . . . 0.417 ' N ' ' C ' ' A' ' 201' ' ' ILE . 3.4 t -73.22 -55.35 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.589 1.181 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 204' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 201' ' ' ILE . 11.9 mm-40 -63.23 -48.11 79.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.252 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.508 HG22 ' HD2' ' A' ' 209' ' ' ARG . 28.7 mm -46.7 -42.23 5.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.569 1.168 . . . . 0.0 109.368 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 42.4 m -61.96 -41.68 98.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.095 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -73.37 -33.93 65.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.44 1.088 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 208' ' ' LEU . . . . . 0.614 ' O ' HG22 ' A' ' 212' ' ' VAL . 52.0 mt -68.85 -28.23 66.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 209' ' ' ARG . . . . . 0.578 ' CG ' HG21 ' A' ' 222' ' ' ILE . 0.1 OUTLIER -70.13 -57.89 4.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.338 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.15 -15.31 32.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.266 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -79.17 -60.38 2.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 212' ' ' VAL . . . . . 0.986 HG23 ' HG2' ' A' ' 213' ' ' GLU . 31.5 m -76.84 -30.56 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.986 ' HG2' HG23 ' A' ' 212' ' ' VAL . 7.4 mm-40 -141.65 101.38 3.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.155 . . . . 0.0 110.272 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.09 60.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.346 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 215' ' ' ASP . . . . . 0.464 ' N ' ' HD3' ' A' ' 216' ' ' PRO . 1.4 m-20 44.7 61.9 10.91 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.379 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 216' ' ' PRO . . . . . 0.464 ' HD3' ' N ' ' A' ' 215' ' ' ASP . 18.4 Cg_endo -75.01 53.7 3.42 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.554 1.818 . . . . 0.0 111.031 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . 58.14 63.66 1.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 79.67 111.71 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.647 1.217 . . . . 0.0 109.634 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -158.45 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 111.074 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 220' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 233' ' ' VAL . 0.1 OUTLIER -162.05 -40.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 110.336 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.533 ' O ' HD13 ' A' ' 222' ' ' ILE . 70.1 m-85 -77.98 9.36 3.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 222' ' ' ILE . . . . . 0.578 HG21 ' CG ' ' A' ' 209' ' ' ARG . 6.5 mm -140.21 108.19 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.39 1.056 . . . . 0.0 109.225 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 223' ' ' GLN . . . . . 0.784 ' O ' HG12 ' A' ' 231' ' ' VAL . 1.5 mt-30 -120.98 85.26 2.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 224' ' ' THR . . . . . 0.781 HG23 ' CD1' ' A' ' 230' ' ' TYR . 51.9 m -80.33 116.09 20.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.426 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 225' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 229' ' ' GLY . 3.8 t -108.43 117.27 53.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -64.02 -50.72 67.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 108.039 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -55.7 -49.94 63.22 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.431 1.082 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 228' ' ' LEU . . . . . 0.438 HD12 ' HB2' ' A' ' 179' ' ' PRO . 2.3 mm? -82.19 -79.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 109.37 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 229' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 176.52 -95.03 0.1 OUTLIER Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.44 1.087 . . . . 0.0 110.978 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 230' ' ' TYR . . . . . 0.781 ' CD1' HG23 ' A' ' 224' ' ' THR . 91.5 m-85 -150.48 116.21 5.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 0.731 . . . . 0.0 111.004 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 231' ' ' VAL . . . . . 0.784 HG12 ' O ' ' A' ' 223' ' ' GLN . 7.6 p -120.01 146.6 24.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.606 ' HB2' HD22 ' A' ' 172' ' ' LEU . 4.7 t80 -119.96 93.83 4.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 233' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 220' ' ' ARG . 97.4 t -101.3 108.16 53.81 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 109.375 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 234' ' ' PRO . . . . . 0.498 ' HA ' ' CD2' ' A' ' 221' ' ' TYR . 18.2 Cg_endo -75.04 132.82 15.79 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 70.98 158.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -102.23 167.13 17.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 2.0 t -173.04 74.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.27 71.91 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.584 1.178 . . . . 0.0 109.369 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.34 -179.933 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.544 ' C ' HG13 ' A' ' 137' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.565 HG12 ' ND2' ' A' ' 146' ' ' ASN . 1.0 OUTLIER 55.22 168.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 109.362 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.753 ' HB ' HD23 ' A' ' 145' ' ' LEU . 4.4 mm -135.91 113.19 14.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.413 ' HB2' ' HG2' ' A' ' 144' ' ' LYS . . . -119.4 163.78 16.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.677 ' CD1' ' N ' ' A' ' 140' ' ' PHE . 0.0 OUTLIER -142.67 -177.8 5.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 111.005 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -34.89 -88.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -103.3 38.82 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.416 0.715 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 154' ' ' ARG . 4.0 t80 -147.11 149.7 33.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.413 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 0.9 OUTLIER -140.8 145.73 36.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.753 HD23 ' HB ' ' A' ' 138' ' ' ILE . 0.2 OUTLIER -156.68 145.07 19.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.565 ' ND2' HG12 ' A' ' 137' ' ' VAL . 0.5 OUTLIER -150.38 118.98 6.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.614 HD11 HD21 ' A' ' 145' ' ' LEU . 1.0 OUTLIER -79.24 -46.6 17.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -56.28 -19.03 23.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.543 1.152 . . . . 0.0 111.076 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' THR . . . . . 0.534 HG22 ' HG3' ' A' ' 151' ' ' GLU . 24.7 m -113.15 -13.84 12.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 110.446 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 53.88 50.31 17.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.534 ' HG3' HG22 ' A' ' 149' ' ' THR . 9.0 mt-10 -144.25 119.21 9.98 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.529 1.143 . . . . 0.0 110.348 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.865 ' HE1' HG12 ' A' ' 212' ' ' VAL . 4.7 ttm -118.6 150.98 38.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.697 ' CD1' ' N ' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -151.56 154.77 37.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 111.051 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.575 ' HB2' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -151.59 122.31 7.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 110.305 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.424 ' C ' ' N ' ' A' ' 157' ' ' GLU . 2.0 mt-10 72.98 62.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 42.51 28.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.594 1.183 . . . . 0.0 109.339 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 155' ' ' GLU . 19.2 mt-10 -132.98 143.49 48.82 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 159.04 41.91 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.595 1.839 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 152' ' ' MET . 0.1 OUTLIER -160.0 119.17 1.62 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 111.073 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 179.21 6.3 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.541 1.811 . . . . 0.0 111.04 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.529 HD12 ' HB2' ' A' ' 166' ' ' PHE . 0.8 OUTLIER -160.07 120.76 3.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 62.4 m -57.91 167.45 1.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 110.387 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 72.8 m -68.8 -38.78 80.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.587 1.18 . . . . 0.0 109.928 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -54.04 -39.76 64.2 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.115 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 167' ' ' ALA . 0.6 OUTLIER -71.75 -65.94 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 0.785 . . . . 0.0 110.226 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 147' ' ' LEU . 5.7 t80 -40.74 -27.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.618 ' HB2' ' CG ' ' A' ' 194' ' ' TYR . . . -66.16 -63.55 1.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.645 HG12 HD12 ' A' ' 172' ' ' LEU . 19.6 t -70.58 -47.59 63.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 1.009 ' O ' HD22 ' A' ' 169' ' ' LEU . 0.1 OUTLIER -47.93 -36.73 12.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 170' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 174' ' ' SER . 72.3 tttt -79.61 -30.0 41.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.155 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 168' ' ' VAL . . . -72.32 -33.64 67.5 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.544 1.152 . . . . 0.0 109.37 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.813 HD11 HD11 ' A' ' 205' ' ' ILE . 0.2 OUTLIER -77.2 -48.02 18.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.568 HG21 HG13 ' A' ' 138' ' ' ILE . 0.3 OUTLIER -75.78 -10.42 13.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 174' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 170' ' ' LYS . 0.5 OUTLIER -65.98 -33.35 75.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.551 1.157 . . . . 0.0 109.986 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -135.05 94.26 16.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.413 1.071 . . . . 0.0 109.637 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 136.71 20.87 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.488 1.783 . . . . 0.0 110.994 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.24 23.67 9.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.343 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.456 ' C ' HG23 ' A' ' 231' ' ' VAL . 0.0 OUTLIER -132.42 108.87 13.48 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 179' ' ' PRO . . . . . 0.634 ' CB ' HD13 ' A' ' 228' ' ' LEU . 18.4 Cg_endo -75.04 139.37 24.11 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.498 1.789 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 33.0 mt -131.54 145.96 51.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 181' ' ' SER . . . . . 0.653 ' O ' HD12 ' A' ' 185' ' ' LEU . 15.2 p -70.01 149.65 47.47 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 1.11 . . . . 0.0 109.939 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 182' ' ' ARG . . . . . 0.497 HH21 ' HB2' ' A' ' 181' ' ' SER . 0.0 OUTLIER -42.32 -38.86 1.95 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.94 -53.61 12.56 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -44.8 -42.97 8.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.659 HD21 ' HB2' ' A' ' 230' ' ' TYR . 5.0 mp -54.7 -63.77 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.411 1.069 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 16.6 tpt -56.27 -43.35 78.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -59.67 -55.12 38.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.226 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.96 -53.75 54.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -48.66 -48.54 39.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.5 124.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.316 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 191' ' ' GLY . . . . . 0.553 ' HA2' ' CE2' ' A' ' 194' ' ' TYR . . . -77.97 -173.65 41.42 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.561 1.163 . . . . 0.0 111.025 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 192' ' ' ARG . . . . . 0.472 ' CB ' ' O ' ' A' ' 191' ' ' GLY . 0.2 OUTLIER 83.26 -50.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 0.812 . . . . 0.0 110.299 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -65.19 -32.72 74.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 194' ' ' TYR . . . . . 0.618 ' CG ' ' HB2' ' A' ' 167' ' ' ALA . 4.6 p90 -118.02 -34.99 3.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 111.092 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 195' ' ' SER . . . . . 0.561 ' HB3' ' CD1' ' A' ' 194' ' ' TYR . 3.4 t 164.31 103.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.613 1.196 . . . . 0.0 109.969 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.414 ' HB2' ' N ' ' A' ' 192' ' ' ARG . . . -82.0 73.68 9.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.81 -43.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.063 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -39.75 -70.57 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.55 1.156 . . . . 0.0 110.315 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.89 94.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.659 1.224 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.23 115.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 109.986 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.667 HG21 ' CE2' ' A' ' 230' ' ' TYR . 3.2 mm -95.49 -80.73 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.46 -30.34 0.07 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.394 1.059 . . . . 0.0 109.35 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 203' ' ' VAL . . . . . 0.446 ' N ' ' C ' ' A' ' 201' ' ' ILE . 40.9 t -71.04 -60.2 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.248 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 204' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 207' ' ' ARG . 47.7 mm-40 -64.24 -44.99 90.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.347 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.813 HD11 HD11 ' A' ' 172' ' ' LEU . 6.9 mm -42.41 -48.89 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.221 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.84 -38.11 89.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 109.947 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 207' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 204' ' ' GLN . 10.3 mtt180 -68.23 -52.64 31.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.597 1.185 . . . . 0.0 110.353 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 208' ' ' LEU . . . . . 0.7 ' C ' HD12 ' A' ' 208' ' ' LEU . 0.4 OUTLIER -67.83 -31.5 71.39 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.564 1.165 . . . . 0.0 109.312 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 209' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 205' ' ' ILE . 38.9 ttm180 -62.84 -61.37 2.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.42 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 23.6 ttt-85 -55.35 -24.93 32.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 1.8 ttp -63.62 -56.89 12.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 212' ' ' VAL . . . . . 0.865 HG12 ' HE1' ' A' ' 152' ' ' MET . 21.3 m -79.55 -25.89 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.577 ' HG2' HG23 ' A' ' 212' ' ' VAL . 31.5 mm-40 -109.79 -147.32 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 110.252 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 214' ' ' GLU . . . . . 0.403 ' CG ' ' O ' ' A' ' 213' ' ' GLU . 60.3 mt-10 -158.52 -50.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -97.1 110.32 53.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 55.84 4.02 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -150.39 -46.73 0.12 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -121.49 77.34 35.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.636 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -159.71 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.53 1.805 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -156.2 -51.66 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 110.343 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.457 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 22.5 m-85 -96.86 21.39 9.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 222' ' ' ILE . . . . . 0.674 HD11 HD11 ' A' ' 208' ' ' LEU . 7.8 mt -154.79 116.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.416 1.072 . . . . 0.0 109.38 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 223' ' ' GLN . . . . . 0.619 ' O ' HG12 ' A' ' 231' ' ' VAL . 2.1 mt-30 -122.93 95.96 4.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 1.6 m -73.85 143.4 45.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.456 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 225' ' ' VAL . . . . . 0.596 HG22 ' H ' ' A' ' 228' ' ' LEU . 0.2 OUTLIER -149.92 110.41 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 28.8 m95 -55.06 -40.98 70.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 108.003 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -55.38 -21.79 28.17 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.635 1.21 . . . . 0.0 111.046 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 228' ' ' LEU . . . . . 0.634 HD13 ' CB ' ' A' ' 179' ' ' PRO . 23.0 mt -123.95 -81.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.779 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 229' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 172.65 -82.89 0.08 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 230' ' ' TYR . . . . . 0.667 ' CE2' HG21 ' A' ' 201' ' ' ILE . 87.3 m-85 -155.64 123.27 5.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 0.768 . . . . 0.0 111.079 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 231' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 223' ' ' GLN . 1.3 p -119.39 163.39 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.457 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 5.3 t80 -136.43 107.89 6.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 111.023 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 98.2 t -111.97 96.95 36.3 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 234' ' ' PRO . . . . . 0.443 ' HA ' ' CD1' ' A' ' 221' ' ' TYR . 18.5 Cg_endo -75.07 170.63 19.97 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.45 1.763 . . . . 0.0 110.936 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -53.57 98.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . 132.49 179.18 16.02 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 26.0 t -171.84 163.77 6.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 0.783 . . . . 0.0 109.963 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -75.18 119.61 19.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.903 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.605 ' C ' HG13 ' A' ' 137' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.605 HG13 ' C ' ' A' ' 136' ' ' ALA . 1.4 m 57.46 170.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.214 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.663 HG22 ' CE1' ' A' ' 140' ' ' PHE . 2.5 mp -134.99 113.32 15.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.445 1.091 . . . . 0.0 109.217 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.736 ' HB2' ' HG2' ' A' ' 144' ' ' LYS . . . -119.76 159.96 23.52 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.663 ' CE1' HG22 ' A' ' 138' ' ' ILE . 4.4 m-85 -132.34 -177.75 4.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -30.53 -80.96 0.01 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.537 ' C ' ' CD1' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -110.48 46.14 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.599 ' CD1' ' N ' ' A' ' 143' ' ' PHE . 0.6 OUTLIER -146.6 168.22 21.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.393 1.058 . . . . 0.0 110.978 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.736 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -160.17 116.16 2.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.749 HD12 ' HG3' ' A' ' 152' ' ' MET . 1.4 tt -121.87 154.02 37.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.418 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 63.8 t-20 -159.86 118.41 2.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.589 1.181 . . . . 0.0 109.31 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.557 ' HA ' ' CE2' ' A' ' 166' ' ' PHE . 1.3 mp -78.48 -45.87 21.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.365 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -58.12 -19.53 38.94 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.443 1.089 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 15.8 m -112.03 -22.27 11.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 0.718 . . . . 0.0 110.374 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 57.88 45.55 18.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.166 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -143.65 114.51 7.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.374 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.749 ' HG3' HD12 ' A' ' 145' ' ' LEU . 0.0 OUTLIER -123.78 145.65 48.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.61 1.194 . . . . 0.0 111.059 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.428 ' N ' ' HG2' ' A' ' 152' ' ' MET . 0.0 OUTLIER -144.1 172.45 12.87 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 0.0 111.063 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.523 ' HG3' ' CD2' ' A' ' 143' ' ' PHE . 0.8 OUTLIER -160.18 122.95 3.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 0.0 110.357 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 53.43 51.04 16.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.24 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 62.73 31.6 16.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 6.3 tt0 -126.02 98.51 33.18 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 147.11 33.5 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.471 1.774 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' MET . . . . . 0.419 ' HA ' ' HD3' ' A' ' 160' ' ' PRO . 0.4 OUTLIER -160.12 135.85 6.03 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.508 1.13 . . . . 0.0 110.951 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 160' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 159' ' ' MET . 18.2 Cg_endo -75.02 -175.89 2.6 Favored 'Trans proline' 0 C--N 1.362 1.244 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 5.0 mt -142.96 109.51 5.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.179 . . . . 0.0 109.29 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 29.6 m -50.52 151.45 2.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.461 1.1 . . . . 0.0 110.342 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 32.9 m -47.61 -31.37 4.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.942 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.739 ' O ' HG23 ' A' ' 168' ' ' VAL . . . -73.81 -53.29 7.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.349 1.031 . . . . 0.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.565 ' HG3' HD21 ' A' ' 208' ' ' LEU . 1.2 mp0 -58.12 -63.47 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 110.307 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.557 ' CE2' ' HA ' ' A' ' 147' ' ' LEU . 6.0 t80 -46.47 -50.77 16.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.088 . . . . 0.0 111.028 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -62.46 -53.36 56.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 164' ' ' GLY . 43.0 t -52.58 -61.04 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.533 1.145 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 1.7 tt -57.5 -35.7 70.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 170' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 174' ' ' SER . 13.3 ttpp -59.44 -37.45 78.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -75.78 -35.17 60.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 109.309 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.626 HD11 ' CD1' ' A' ' 205' ' ' ILE . 1.8 mt -70.74 -57.63 4.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.385 1.053 . . . . 0.0 109.376 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.421 HG21 HD13 ' A' ' 138' ' ' ILE . 0.5 OUTLIER -66.43 -11.77 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.377 1.048 . . . . 0.0 109.208 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 174' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 170' ' ' LYS . 0.4 OUTLIER -71.9 -35.6 69.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.396 1.06 . . . . 0.0 110.019 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -121.36 85.34 42.36 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.619 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 176' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 232' ' ' PHE . 18.5 Cg_endo -74.96 57.76 4.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 111.043 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.445 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 6.3 mtp180 162.8 -49.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.238 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.21 114.3 28.19 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.232 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 179' ' ' PRO . . . . . 0.624 ' HG2' HD22 ' A' ' 228' ' ' LEU . 18.0 Cg_endo -74.99 160.61 39.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.516 HD22 ' HB3' ' A' ' 184' ' ' LYS . 37.9 mt -143.74 140.54 30.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 91.5 p -69.18 156.55 38.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.17 -38.38 17.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.329 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -73.29 -47.75 40.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.374 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 184' ' ' LYS . . . . . 0.516 ' HB3' HD22 ' A' ' 180' ' ' LEU . 6.1 mmtt -61.02 -15.42 31.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.364 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.609 HD21 ' HB2' ' A' ' 230' ' ' TYR . 0.9 OUTLIER -75.87 -64.51 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -66.05 -17.82 64.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -79.9 -60.6 2.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.58 1.175 . . . . 0.0 109.361 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.44 -49.36 61.86 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.57 1.169 . . . . 0.0 109.327 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -50.24 -59.39 4.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 173.61 123.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 191' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 193' ' ' GLU . . . -93.75 172.4 32.62 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.13 . . . . 0.0 110.962 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.78 -73.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 0.775 . . . . 0.0 110.35 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 193' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 191' ' ' GLY . 0.7 OUTLIER -51.43 127.02 18.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.258 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 194' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -79.65 75.1 6.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.591 1.182 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 2.0 t -134.48 -51.85 0.81 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.409 1.068 . . . . 0.0 109.989 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.73 92.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 0.0 109.345 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.48 57.56 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -62.17 -34.31 76.16 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.585 1.178 . . . . 0.0 110.252 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -138.26 -63.38 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.591 1.182 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.28 123.66 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.934 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.464 ' CG2' ' CE2' ' A' ' 230' ' ' TYR . 0.8 OUTLIER -43.81 -53.87 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.592 1.182 . . . . 0.0 109.238 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 202' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 201' ' ' ILE . 1.1 t70 -39.99 -69.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 74.9 t -57.42 -55.26 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 204' ' ' GLN . . . . . 0.776 ' O ' HD23 ' A' ' 208' ' ' LEU . 3.1 mt-30 -43.46 -30.86 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.626 ' CD1' HD11 ' A' ' 172' ' ' LEU . 18.2 mm -80.31 -56.18 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 8.1 m -49.13 -43.55 41.67 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 207' ' ' ARG . . . . . 0.412 ' HB2' ' NH1' ' A' ' 207' ' ' ARG . 1.8 ptp180 -72.86 -29.39 63.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 208' ' ' LEU . . . . . 0.776 HD23 ' O ' ' A' ' 204' ' ' GLN . 0.7 OUTLIER -65.98 -30.13 70.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 209' ' ' ARG . . . . . 0.474 HH21 ' HG3' ' A' ' 219' ' ' PRO . 7.1 mtp180 -74.2 -58.99 2.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.29 -26.58 0.83 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.55 1.157 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 43.4 mtp -67.95 -60.66 2.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.378 1.049 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 212' ' ' VAL . . . . . 0.592 ' O ' ' CE2' ' A' ' 143' ' ' PHE . 28.1 m -72.72 -40.8 61.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.207 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.455 ' CD ' HG23 ' A' ' 212' ' ' VAL . 0.0 OUTLIER -135.86 105.92 6.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.594 1.184 . . . . 0.0 110.244 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -80.58 83.3 6.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -133.13 160.56 68.18 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 109.247 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -45.27 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.594 1.839 . . . . 0.0 110.991 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -158.59 54.0 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.22 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -148.29 75.13 10.62 Favored Pre-proline 0 C--N 1.323 -0.557 0 O-C-N 124.512 1.132 . . . . 0.0 109.586 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 219' ' ' PRO . . . . . 0.474 ' HG3' HH21 ' A' ' 209' ' ' ARG . 18.5 Cg_endo -74.98 -159.62 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 111.061 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.61 -60.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.45 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.557 ' O ' ' CD1' ' A' ' 232' ' ' PHE . 30.5 m-85 -91.35 20.59 5.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.098 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 222' ' ' ILE . . . . . 0.571 HG12 ' CE1' ' A' ' 232' ' ' PHE . 21.2 mt -152.49 119.3 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 223' ' ' GLN . . . . . 0.535 ' O ' HG12 ' A' ' 231' ' ' VAL . 4.9 mm-40 -119.62 104.22 10.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 45.3 m -76.13 133.63 40.2 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.397 1.061 . . . . 0.0 110.376 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 225' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 229' ' ' GLY . 0.0 OUTLIER -137.54 107.31 4.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -52.86 -43.21 65.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 108.073 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -59.76 -22.96 58.17 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.456 1.097 . . . . 0.0 110.943 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 228' ' ' LEU . . . . . 0.624 HD22 ' HG2' ' A' ' 179' ' ' PRO . 5.7 mt -117.56 -87.21 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 0.799 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 229' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 173.5 -83.51 0.08 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 230' ' ' TYR . . . . . 0.609 ' HB2' HD21 ' A' ' 185' ' ' LEU . 75.2 m-85 -154.22 119.32 5.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 0.796 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 231' ' ' VAL . . . . . 0.617 HG22 ' H ' ' A' ' 232' ' ' PHE . 9.7 p -119.77 174.53 4.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.572 1.17 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.617 ' H ' HG22 ' A' ' 231' ' ' VAL . 0.7 OUTLIER -128.49 103.9 7.39 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 73.5 t -102.03 107.51 52.84 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.575 1.172 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.96 3.22 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.453 1.765 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 18.2 t0 54.39 173.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.379 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -72.97 127.02 10.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 1.7 t -178.68 134.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 110.022 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -171.74 145.47 1.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.683 HG12 ' CG ' ' A' ' 146' ' ' ASN . 0.9 OUTLIER -124.02 179.0 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.685 HG22 ' CE1' ' A' ' 140' ' ' PHE . 3.7 mp -140.4 113.34 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.606 ' HB2' ' HG2' ' A' ' 144' ' ' LYS . . . -123.47 165.46 17.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.369 1.043 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.685 ' CE1' HG22 ' A' ' 138' ' ' ILE . 6.3 m-85 -143.18 -178.02 5.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 111.077 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.564 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -22.95 -80.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.606 ' HG2' ' CE1' ' A' ' 143' ' ' PHE . 0.3 OUTLIER -114.26 42.82 2.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.606 ' CE1' ' HG2' ' A' ' 142' ' ' LYS . 17.2 m-85 -137.78 163.21 31.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.941 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.606 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -161.05 107.46 1.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.376 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.494 ' CD1' HD11 ' A' ' 161' ' ' LEU . 1.1 tp -120.03 148.01 44.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.683 ' CG ' HG12 ' A' ' 137' ' ' VAL . 54.7 t-20 -152.28 116.59 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.362 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.979 HD13 ' HG2' ' A' ' 170' ' ' LYS . 7.7 mt -79.04 -34.91 43.41 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -57.33 -24.95 53.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.13 . . . . 0.0 111.084 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 16.6 m -119.5 -7.14 10.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.751 . . . . 0.0 110.383 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 52.94 50.82 17.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.364 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -143.92 115.8 8.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.381 1.051 . . . . 0.0 110.37 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.465 ' HB2' ' CD1' ' A' ' 145' ' ' LEU . 13.1 ttt -128.12 143.45 51.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 152' ' ' MET . 0.1 OUTLIER -137.61 169.88 17.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 154' ' ' ARG . 17.4 ptt85 -154.9 117.7 4.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 57.46 52.23 8.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.248 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 15.7 t0 63.48 23.48 13.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -122.67 99.14 42.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.405 ' HB3' ' CD1' ' A' ' 153' ' ' PHE . 18.3 Cg_endo -74.92 150.79 39.1 Favored 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.423 1.749 . . . . 0.0 111.017 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.07 144.59 10.87 Favored Pre-proline 0 C--N 1.327 -0.405 0 O-C-N 124.436 1.085 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -171.24 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.544 1.813 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.494 HD11 ' CD1' ' A' ' 145' ' ' LEU . 2.0 mt -140.63 128.55 21.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.222 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 56.5 m -72.95 155.18 40.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.363 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 167' ' ' ALA . 0.9 OUTLIER -51.56 -43.18 62.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.979 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.582 ' O ' HG23 ' A' ' 168' ' ' VAL . . . -65.07 -51.39 51.16 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.5 -68.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 0.709 . . . . 0.0 110.297 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.566 ' CE1' HD23 ' A' ' 147' ' ' LEU . 20.0 t80 -43.32 -49.22 6.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 163' ' ' SER . . . -62.41 -57.93 9.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 164' ' ' GLY . 14.9 t -47.43 -54.61 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.167 . . . . 0.0 109.359 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 170' ' ' LYS . 6.0 tp -61.6 -51.81 66.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 170' ' ' LYS . . . . . 0.979 ' HG2' HD13 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -39.97 -43.71 1.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -62.01 -54.79 36.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.427 1.079 . . . . 0.0 109.289 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.4 HD22 ' HB2' ' A' ' 232' ' ' PHE . 0.4 OUTLIER -57.95 -45.38 86.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.449 HG11 HD11 ' A' ' 138' ' ' ILE . 2.6 t -70.43 -19.93 22.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.441 1.088 . . . . 0.0 109.346 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 174' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 170' ' ' LYS . 30.3 t -81.1 -14.1 58.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 110.068 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.04 86.19 4.92 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.628 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 131.27 14.19 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.553 1.817 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 72.85 11.5 5.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.424 ' N ' HG23 ' A' ' 231' ' ' VAL . 1.9 mm-40 -112.86 99.13 47.4 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 110.219 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 179' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.16 133.73 16.7 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.452 1.764 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.683 ' O ' HD13 ' A' ' 185' ' ' LEU . 5.8 mt -135.47 132.58 37.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 73.6 p -47.26 161.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.459 1.1 . . . . 0.0 110.044 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 182' ' ' ARG . . . . . 0.444 ' CG ' ' HB ' ' A' ' 201' ' ' ILE . 8.4 tmm_? -53.28 -31.55 44.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.98 -56.86 4.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 184' ' ' LYS . . . . . 0.671 ' HB3' HD22 ' A' ' 180' ' ' LEU . 45.8 mmtt -51.98 -25.01 7.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.887 HD23 HD12 ' A' ' 201' ' ' ILE . 0.3 OUTLIER -67.98 -65.82 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.255 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 13.0 ptm -58.6 -21.28 52.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -69.72 -46.22 66.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.618 1.199 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.74 -14.52 63.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -119.65 31.23 6.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -97.16 83.65 3.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -78.28 -158.32 11.3 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.542 1.151 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.17 78.67 2.77 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.532 0.783 . . . . 0.0 110.293 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 66.7 120.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.239 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 194' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 195' ' ' SER . 4.8 p90 -178.48 -36.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 195' ' ' SER . . . . . 0.565 ' HB3' ' CE2' ' A' ' 194' ' ' TYR . 2.6 t -162.39 -43.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.937 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.515 ' O ' ' CB ' ' A' ' 197' ' ' MET . . . 39.7 61.98 1.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.262 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 197' ' ' MET . . . . . 0.515 ' CB ' ' O ' ' A' ' 196' ' ' ALA . 8.2 tmm? 82.08 64.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 198' ' ' GLU . . . . . 0.467 ' OE1' ' CB ' ' A' ' 195' ' ' SER . 7.3 tp10 -39.11 -69.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 199' ' ' ARG . . . . . 0.464 HH11 HG11 ' A' ' 203' ' ' VAL . 12.6 ttt-85 -129.21 -56.61 1.17 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.583 1.177 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 200' ' ' SER . . . . . 0.473 ' HB3' HG23 ' A' ' 203' ' ' VAL . 0.1 OUTLIER 173.83 143.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 109.968 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.887 HD12 HD23 ' A' ' 185' ' ' LEU . 16.4 mm -54.0 -65.36 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.58 -53.18 2.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.387 1.055 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 203' ' ' VAL . . . . . 0.473 HG23 ' HB3' ' A' ' 200' ' ' SER . 86.6 t -50.71 -63.17 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.365 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 204' ' ' GLN . . . . . 0.415 ' NE2' ' HA3' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -53.11 -53.97 42.5 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.676 HG22 ' HE ' ' A' ' 209' ' ' ARG . 27.7 mm -41.47 -49.92 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 8.4 t -55.33 -46.65 76.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.077 . . . . 0.0 109.996 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -68.71 -35.61 77.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.428 1.08 . . . . 0.0 110.327 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 208' ' ' LEU . . . . . 0.6 ' O ' HG22 ' A' ' 212' ' ' VAL . 12.7 mt -70.77 -32.05 69.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 209' ' ' ARG . . . . . 0.676 ' HE ' HG22 ' A' ' 205' ' ' ILE . 40.5 mtm180 -65.09 -50.62 65.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.383 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.92 -16.84 63.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 14.9 mtp -78.47 -57.76 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 111.046 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 212' ' ' VAL . . . . . 0.612 HG23 ' HG2' ' A' ' 213' ' ' GLU . 27.0 m -75.75 -28.11 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.365 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.612 ' HG2' HG23 ' A' ' 212' ' ' VAL . 0.6 OUTLIER -123.06 -148.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 110.272 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 214' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 216' ' ' PRO . 11.0 tt0 -164.92 -52.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 215' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 214' ' ' GLU . 4.5 m-20 -38.46 99.09 0.18 Allowed Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.588 1.18 . . . . 0.0 109.278 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 216' ' ' PRO . . . . . 0.431 ' N ' ' O ' ' A' ' 214' ' ' GLU . 18.7 Cg_endo -75.05 55.17 3.89 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.503 1.791 . . . . 0.0 111.032 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -147.82 -54.78 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 218' ' ' HIS . . . . . 0.452 ' CE1' ' O ' ' A' ' 219' ' ' PRO . 1.6 t-80 -154.13 121.46 2.9 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.561 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 219' ' ' PRO . . . . . 0.452 ' O ' ' CE1' ' A' ' 218' ' ' HIS . 18.6 Cg_endo -74.91 -159.37 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.482 1.78 . . . . 0.0 111.056 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 220' ' ' ARG . . . . . 0.45 ' N ' ' OE1' ' A' ' 213' ' ' GLU . 0.1 OUTLIER -143.93 -51.69 0.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 1.144 . . . . 0.0 110.349 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 232' ' ' PHE . 54.0 m-85 -89.64 21.12 3.62 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.591 1.182 . . . . 0.0 111.02 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 222' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 222' ' ' ILE . 26.3 mm -148.05 116.33 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 223' ' ' GLN . . . . . 0.414 ' O ' HG12 ' A' ' 231' ' ' VAL . 1.5 mm-40 -119.79 94.65 4.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 110.353 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 91.3 m -79.05 112.7 16.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.462 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 225' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 229' ' ' GLY . 2.4 t -106.09 95.54 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -60.01 -20.5 58.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 108.045 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -80.58 -19.87 67.51 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 228' ' ' LEU . . . . . 0.415 HD12 HG11 ' A' ' 225' ' ' VAL . 0.7 OUTLIER -125.3 -73.23 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 0.753 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 229' ' ' GLY . . . . . 0.61 ' C ' ' CD1' ' A' ' 230' ' ' TYR . . . -177.58 -102.18 0.15 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.138 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 230' ' ' TYR . . . . . 0.622 ' CE2' HG22 ' A' ' 201' ' ' ILE . 21.0 m-85 -151.89 121.39 6.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 0.772 . . . . 0.0 110.998 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 231' ' ' VAL . . . . . 0.608 HG22 ' H ' ' A' ' 232' ' ' PHE . 9.9 p -119.08 174.02 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.395 1.06 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.608 ' H ' HG22 ' A' ' 231' ' ' VAL . 5.8 t80 -136.77 109.26 7.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 81.2 t -113.49 94.75 33.38 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.141 . . . . 0.0 109.25 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -75.0 113.82 3.88 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.431 1.753 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 10.2 t0 40.38 77.07 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . 57.54 -169.17 4.22 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 12.1 t -133.69 131.87 39.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 0.81 . . . . 0.0 109.978 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 45.41 88.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.397 1.061 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.39 0 O-C-N 124.472 1.107 . . . . 0.0 109.223 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.494 ' O ' HG12 ' A' ' 137' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.494 HG12 ' O ' ' A' ' 136' ' ' ALA . 0.9 OUTLIER -153.72 -179.16 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.569 1.168 . . . . 0.0 109.341 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.668 ' HB ' HD22 ' A' ' 145' ' ' LEU . 3.3 mp -139.41 115.26 8.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.45 1.094 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.542 ' HB2' ' HG2' ' A' ' 144' ' ' LYS . . . -119.8 158.52 26.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.634 ' CD1' ' N ' ' A' ' 140' ' ' PHE . 0.3 OUTLIER -134.11 -177.91 4.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.406 1.066 . . . . 0.0 111.055 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -34.53 -79.88 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.13 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.626 ' C ' ' CD1' ' A' ' 143' ' ' PHE . 27.7 mttp -110.92 49.65 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 0.769 . . . . 0.0 109.206 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.626 ' CD1' ' C ' ' A' ' 142' ' ' LYS . 0.8 OUTLIER -152.52 168.78 24.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.956 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.542 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 0.2 OUTLIER -160.57 116.55 2.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.77 HD21 ' CD2' ' A' ' 147' ' ' LEU . 1.7 tt -123.9 159.42 29.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.639 ' N ' HD23 ' A' ' 145' ' ' LEU . 35.9 t-20 -160.4 114.22 2.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.36 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.77 ' CD2' HD21 ' A' ' 145' ' ' LEU . 7.8 mt -75.98 -41.1 52.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.234 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' GLY . . . . . 0.426 ' N ' ' OD1' ' A' ' 146' ' ' ASN . . . -60.69 -18.62 52.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.542 1.151 . . . . 0.0 111.06 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 75.7 m -117.11 -9.09 11.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.594 0.82 . . . . 0.0 110.447 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 49.61 52.07 15.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.568 1.168 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.95 123.57 6.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.562 ' C ' ' CD1' ' A' ' 153' ' ' PHE . 13.6 ttt -131.0 152.86 49.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.634 1.209 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -143.32 159.88 41.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 111.023 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.59 116.45 5.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 68.48 54.61 0.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 110.241 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 50.42 59.08 4.83 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -152.13 102.11 2.81 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 130.83 13.65 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.464 1.771 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' MET . . . . . 0.403 ' HA ' ' HD3' ' A' ' 160' ' ' PRO . 0.0 OUTLIER -159.48 136.82 7.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 160' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 159' ' ' MET . 18.5 Cg_endo -75.0 -163.49 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.438 1.757 . . . . 0.0 111.058 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.511 HD12 ' HB2' ' A' ' 166' ' ' PHE . 0.3 OUTLIER -160.08 129.91 5.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.584 1.178 . . . . 0.0 109.329 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 4.2 p -43.89 167.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.548 1.155 . . . . 0.0 110.382 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.429 ' CB ' ' OG ' ' A' ' 195' ' ' SER . 17.7 m -67.61 -55.22 14.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.983 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -46.17 -47.68 15.48 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.534 1.146 . . . . 0.0 110.971 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.578 ' HB3' HD21 ' A' ' 208' ' ' LEU . 39.5 mt-10 -58.58 -49.18 78.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 0.748 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.511 ' HB2' HD12 ' A' ' 161' ' ' LEU . 4.5 t80 -61.9 -51.32 68.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -54.48 -62.13 1.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 109.208 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.634 ' O ' ' HB3' ' A' ' 171' ' ' ALA . 71.3 t -50.75 -60.21 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.42 1.075 . . . . 0.0 109.35 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.601 HD13 HD22 ' A' ' 208' ' ' LEU . 4.2 tp -48.02 -57.62 5.53 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 170' ' ' LYS . . . . . 0.706 ' CG ' HD13 ' A' ' 147' ' ' LEU . 0.4 OUTLIER -54.04 -35.51 62.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 168' ' ' VAL . . . -60.4 -42.17 95.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.225 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.403 ' CD2' ' HB2' ' A' ' 232' ' ' PHE . 0.3 OUTLIER -76.15 -37.44 57.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.658 HG22 ' CE2' ' A' ' 232' ' ' PHE . 53.8 t -80.09 -0.95 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.423 1.077 . . . . 0.0 109.34 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 174' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 170' ' ' LYS . 0.8 OUTLIER -96.4 -22.25 17.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.944 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -121.89 87.4 46.78 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.586 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 122.93 7.52 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.523 1.802 . . . . 0.0 111.08 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 16.2 ttt-85 63.33 35.04 12.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.33 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -135.83 100.53 10.94 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.345 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 179' ' ' PRO . . . . . 0.458 ' CG ' ' HG ' ' A' ' 228' ' ' LEU . 18.1 Cg_endo -75.03 138.56 23.11 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.553 1.817 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 27.3 mt -143.49 134.14 25.05 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 0.0 109.429 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 181' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 184' ' ' LYS . 45.9 p -59.48 146.4 40.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 182' ' ' ARG . . . . . 0.573 ' HB3' ' CE1' ' A' ' 230' ' ' TYR . 0.0 OUTLIER -44.94 -33.37 1.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 183' ' ' ASP . . . . . 0.525 ' N ' ' CD ' ' A' ' 182' ' ' ARG . 2.9 t70 -64.31 -42.42 96.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 184' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 181' ' ' SER . 0.0 OUTLIER -62.09 -48.66 79.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.68 HD22 HD12 ' A' ' 201' ' ' ILE . 4.0 mp -44.49 -47.47 10.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.22 -52.28 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -48.97 -31.29 7.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 4.4 tp -79.59 -38.92 32.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 189' ' ' ALA . . . . . 0.52 ' HB3' ' HB2' ' A' ' 196' ' ' ALA . . . -96.63 33.56 1.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -114.11 93.58 4.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.316 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -178.64 91.11 0.08 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 44.72 61.16 2.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.555 0.797 . . . . 0.0 110.357 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -172.89 94.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 194' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -77.56 80.85 4.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 195' ' ' SER . . . . . 0.429 ' OG ' ' CB ' ' A' ' 163' ' ' SER . 0.1 OUTLIER -133.53 -48.25 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.947 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.52 ' HB2' ' HB3' ' A' ' 189' ' ' ALA . . . -69.25 -37.51 77.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.429 1.08 . . . . 0.0 109.309 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.66 53.79 2.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.75 -53.85 3.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.225 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 28.4 ttt85 -143.36 -67.15 0.36 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 200' ' ' SER . . . . . 0.423 ' O ' ' CG ' ' A' ' 204' ' ' GLN . 18.7 t -170.99 -179.65 2.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.68 HD12 HD22 ' A' ' 185' ' ' LEU . 1.4 mm -98.99 -60.99 2.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.9 -33.82 1.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.574 1.171 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 203' ' ' VAL . . . . . 0.424 ' CG1' ' N ' ' A' ' 204' ' ' GLN . 0.4 OUTLIER -80.1 -44.94 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 204' ' ' GLN . . . . . 0.424 ' N ' ' CG1' ' A' ' 203' ' ' VAL . 17.4 mm-40 -57.95 -61.95 2.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.424 ' O ' ' CG ' ' A' ' 209' ' ' ARG . 1.8 pt -49.55 -34.73 8.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 3.3 m -67.58 -38.72 84.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.971 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -80.31 -25.39 39.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.322 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 208' ' ' LEU . . . . . 0.601 HD22 HD13 ' A' ' 169' ' ' LEU . 54.8 mt -77.02 -49.85 14.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 209' ' ' ARG . . . . . 0.495 ' HB3' HD12 ' A' ' 222' ' ' ILE . 0.1 OUTLIER -62.7 -28.63 70.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -36.2 71.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.358 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 1.4 mmm -65.17 -45.68 83.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 111.088 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 212' ' ' VAL . . . . . 0.79 HG23 ' HG2' ' A' ' 213' ' ' GLU . 29.7 m -80.18 -28.51 12.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.375 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.79 ' HG2' HG23 ' A' ' 212' ' ' VAL . 36.6 mm-40 -113.2 -147.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -175.89 40.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -119.58 154.09 54.42 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -37.96 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.44 1.758 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -155.14 51.99 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.152 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -150.38 69.89 8.93 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.616 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -75.04 -159.84 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.494 1.786 . . . . 0.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.87 -60.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 110.269 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.48 ' CD2' ' HA ' ' A' ' 234' ' ' PRO . 44.4 m-85 -87.94 21.87 2.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.11 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 222' ' ' ILE . . . . . 0.495 HD12 ' HB3' ' A' ' 209' ' ' ARG . 14.0 mt -150.62 115.91 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.206 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -121.0 91.85 3.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.372 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 224' ' ' THR . . . . . 0.413 ' OG1' ' CD1' ' A' ' 205' ' ' ILE . 98.3 m -72.86 112.42 8.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.484 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 225' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 229' ' ' GLY . 3.0 t -105.08 125.97 60.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 109.366 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -74.21 -34.22 63.63 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -76.79 -19.52 77.61 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 228' ' ' LEU . . . . . 0.479 HD13 ' HA ' ' A' ' 228' ' ' LEU . 0.2 OUTLIER -114.54 -76.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.78 . . . . 0.0 109.249 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 229' ' ' GLY . . . . . 0.572 ' C ' ' CD1' ' A' ' 230' ' ' TYR . . . 162.96 -87.84 0.1 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 230' ' ' TYR . . . . . 0.652 ' CE2' HG22 ' A' ' 201' ' ' ILE . 37.2 m-85 -149.84 118.38 6.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.404 0.708 . . . . 0.0 111.013 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 1.4 p -119.62 155.56 22.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.658 ' CE2' HG22 ' A' ' 173' ' ' VAL . 42.2 t80 -122.59 100.86 7.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 96.3 t -110.96 98.49 38.84 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 109.215 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 234' ' ' PRO . . . . . 0.48 ' HA ' ' CD2' ' A' ' 221' ' ' TYR . 18.2 Cg_endo -74.97 -165.93 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.451 1.764 . . . . 0.0 110.999 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -76.04 101.9 5.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.073 . . . . 0.0 109.347 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . 88.69 120.19 1.7 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.969 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 6.7 t -138.44 164.76 28.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 0.782 . . . . 0.0 109.991 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 7.6 tptt -79.0 110.71 14.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.515 1.134 . . . . 0.0 109.357 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.684 HG12 ' CG ' ' A' ' 146' ' ' ASN . 1.0 OUTLIER -71.61 -175.03 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.403 1.064 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.556 HD13 HG11 ' A' ' 173' ' ' VAL . 3.0 mp -146.11 115.14 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.717 ' HB2' ' HG2' ' A' ' 144' ' ' LYS . . . -122.81 159.88 27.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.583 ' O ' ' C ' ' A' ' 141' ' ' GLY . 6.2 m-85 -134.93 -176.77 4.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.583 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -21.14 -83.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.549 1.155 . . . . 0.0 110.992 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.56 31.33 6.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 0.735 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.588 ' CD2' ' HG3' ' A' ' 154' ' ' ARG . 1.9 m-85 -122.66 166.05 15.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.717 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 0.1 OUTLIER -160.78 110.41 1.7 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.459 1.1 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.769 HD12 ' SD ' ' A' ' 152' ' ' MET . 1.4 tt -120.79 151.25 39.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.717 ' N ' HD23 ' A' ' 145' ' ' LEU . 52.9 t-20 -155.54 121.02 4.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.879 HD13 ' HG2' ' A' ' 170' ' ' LYS . 16.1 mt -80.41 -38.01 31.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -57.83 -27.03 58.74 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.539 1.149 . . . . 0.0 111.094 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 61.0 m -113.37 -15.94 12.56 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.514 0.773 . . . . 0.0 110.404 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 150' ' ' ARG . 9.1 ttp-105 57.89 48.78 12.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 1.067 . . . . 0.0 110.247 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -139.93 112.2 7.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 110.251 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.769 ' SD ' HD12 ' A' ' 145' ' ' LEU . 23.4 ttt -121.37 141.23 51.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 111.064 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 144' ' ' LYS . 0.7 OUTLIER -156.89 167.45 30.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.588 ' HG3' ' CD2' ' A' ' 143' ' ' PHE . 3.5 ttt180 -156.44 113.29 3.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 67.4 57.97 0.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 15.4 t0 53.48 63.44 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 153' ' ' PHE . 3.6 tp10 -151.94 98.93 2.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.424 ' HA ' ' HB3' ' A' ' 153' ' ' PHE . 18.2 Cg_endo -74.99 121.32 6.51 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.787 . . . . 0.0 110.974 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.61 117.91 21.26 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 154.19 42.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.428 1.752 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.94 137.13 54.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 85.5 m -86.76 156.29 19.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 110.442 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 29.1 p -49.68 -54.24 19.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.036 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.417 ' O ' HG23 ' A' ' 168' ' ' VAL . . . -50.68 -56.39 13.74 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.602 1.189 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.793 ' HB3' HD21 ' A' ' 208' ' ' LEU . 0.9 OUTLIER -60.63 -68.51 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 0.74 . . . . 0.0 110.314 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.575 ' CE1' ' HG3' ' A' ' 170' ' ' LYS . 1.5 t80 -40.67 -42.75 1.79 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.416 1.073 . . . . 0.0 111.016 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -63.99 -44.44 92.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.358 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 165' ' ' GLU . 10.3 t -60.47 -59.93 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 1.7 tp -58.33 -27.42 64.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.174 . . . . 0.0 109.338 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 170' ' ' LYS . . . . . 0.879 ' HG2' HD13 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -60.65 -65.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.394 1.059 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -44.66 -52.58 8.08 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.552 1.157 . . . . 0.0 109.382 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.453 ' CD2' ' HB2' ' A' ' 232' ' ' PHE . 0.3 OUTLIER -55.81 -53.59 54.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.556 HG11 HD13 ' A' ' 138' ' ' ILE . 35.3 t -65.58 -11.32 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 174' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 170' ' ' LYS . 0.6 OUTLIER -83.92 -10.31 58.06 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.394 1.059 . . . . 0.0 110.028 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -151.28 89.97 4.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.619 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 125.34 9.25 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 71.53 42.17 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.254 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -145.44 101.15 4.37 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.462 1.101 . . . . 0.0 110.35 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 179' ' ' PRO . . . . . 0.885 ' CG ' HD13 ' A' ' 228' ' ' LEU . 18.3 Cg_endo -74.99 146.84 33.16 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.492 1.785 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.57 136.8 24.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 181' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 184' ' ' LYS . 5.0 t -52.28 142.71 16.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 182' ' ' ARG . . . . . 0.443 ' NH1' ' HB2' ' A' ' 182' ' ' ARG . 0.0 OUTLIER -47.16 -29.21 2.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.302 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.24 -39.61 71.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.235 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 184' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 181' ' ' SER . 6.4 mmtt -77.13 -14.22 59.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.724 HD12 HG12 ' A' ' 201' ' ' ILE . 0.2 OUTLIER -69.69 -66.77 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 17.2 ptm -60.34 -26.49 66.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 187' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 190' ' ' ARG . 0.9 OUTLIER -68.16 -60.71 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.197 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.6 tp -51.72 -25.03 6.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -104.89 35.04 2.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 190' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 187' ' ' ASN . 0.0 OUTLIER -117.86 80.1 1.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.25 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -146.93 -121.3 1.28 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 0.0 111.04 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 14.1 ttt-85 -39.31 -61.84 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 0.8 . . . . 0.0 110.251 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.08 120.55 37.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 194' ' ' TYR . . . . . 1.023 ' CE1' ' HB3' ' A' ' 196' ' ' ALA . 9.1 t80 -39.92 -65.08 0.43 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.583 1.177 . . . . 0.0 110.975 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 47.2 t 39.04 42.28 0.66 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.521 1.138 . . . . 0.0 109.935 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 1.023 ' HB3' ' CE1' ' A' ' 194' ' ' TYR . . . -108.88 -61.81 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.98 47.2 1.26 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.568 1.168 . . . . 0.0 111.004 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -81.77 -47.58 12.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.77 -73.68 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.5 1.125 . . . . 0.0 110.22 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 1.6 t -179.0 145.94 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.373 1.045 . . . . 0.0 110.011 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.724 HG12 HD12 ' A' ' 185' ' ' LEU . 2.9 mp -70.24 -61.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 202' ' ' ASP . . . . . 0.444 ' N ' ' OH ' ' A' ' 230' ' ' TYR . 0.8 OUTLIER -40.61 -35.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 79.8 t -78.77 -46.46 24.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 204' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 201' ' ' ILE . 1.8 mt-30 -60.75 -58.91 6.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.867 HD12 ' CG2' ' A' ' 222' ' ' ILE . 6.8 pt -52.64 -32.53 17.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 109.348 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 206' ' ' SER . . . . . 0.415 ' N ' HG13 ' A' ' 205' ' ' ILE . 1.6 m -67.7 -51.19 52.41 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.438 1.086 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -63.01 -38.63 91.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 208' ' ' LEU . . . . . 0.793 HD21 ' HB3' ' A' ' 165' ' ' GLU . 75.6 mt -66.85 -30.85 71.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.214 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 209' ' ' ARG . . . . . 0.832 HH21 HG21 ' A' ' 212' ' ' VAL . 8.2 mmp_? -80.03 -50.75 9.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.401 1.063 . . . . 0.0 110.27 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -43.58 -34.97 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -54.71 -59.5 4.64 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.55 1.156 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 212' ' ' VAL . . . . . 0.832 HG21 HH21 ' A' ' 209' ' ' ARG . 26.2 m -79.91 -47.05 22.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 109.37 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.434 ' N ' HG23 ' A' ' 212' ' ' VAL . 11.5 mm-40 -90.64 84.82 5.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 214' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 215' ' ' ASP . 31.2 tt0 -39.05 -65.77 0.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.221 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 215' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 214' ' ' GLU . 18.9 m-20 -39.87 100.2 0.21 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 70.87 5.2 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.434 1.755 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -176.15 -57.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -93.8 111.9 54.68 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.544 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -159.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.413 1.744 . . . . 0.0 111.078 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 220' ' ' ARG . . . . . 0.533 ' HG2' ' CE1' ' A' ' 221' ' ' TYR . 7.7 tpm_? -151.65 -71.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.561 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 56.2 m-85 -92.42 20.6 6.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 222' ' ' ILE . . . . . 0.867 ' CG2' HD12 ' A' ' 205' ' ' ILE . 16.0 mm -148.04 117.02 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 223' ' ' GLN . . . . . 0.481 ' O ' HG23 ' A' ' 225' ' ' VAL . 2.5 mm-40 -119.67 92.08 3.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.605 1.19 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 224' ' ' THR . . . . . 0.582 ' OG1' HD11 ' A' ' 205' ' ' ILE . 54.2 m -67.71 112.15 4.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 0.0 110.388 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 225' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 229' ' ' GLY . 37.6 t -112.93 136.65 48.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.374 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -72.72 -71.79 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -40.01 -33.37 0.45 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.417 1.073 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 228' ' ' LEU . . . . . 0.885 HD13 ' CG ' ' A' ' 179' ' ' PRO . 7.2 mt -97.99 -85.05 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.742 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 229' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 161.01 -84.77 0.12 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 230' ' ' TYR . . . . . 0.59 ' CD2' ' HG ' ' A' ' 185' ' ' LEU . 38.5 m-85 -142.23 116.52 9.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 0.731 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -119.63 146.98 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.406 1.066 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 4.4 t80 -119.7 99.33 6.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.52 1.137 . . . . 0.0 111.083 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 76.8 t -108.32 101.86 44.15 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 234' ' ' PRO . . . . . 0.471 ' HA ' ' CD2' ' A' ' 221' ' ' TYR . 18.2 Cg_endo -74.99 161.65 38.45 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.465 1.771 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 40.63 85.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -37.86 127.23 1.5 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.118 . . . . 0.0 111.001 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.54 -58.19 2.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 109.971 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.98 119.25 38.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.4 1.062 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 109.346 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.568 ' O ' HG22 ' A' ' 137' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 136' ' ' ALA . 1.4 m 46.34 -173.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 145' ' ' LEU . 3.6 mp -123.69 100.89 8.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.568 1.167 . . . . 0.0 109.274 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.763 ' HB2' ' HB2' ' A' ' 144' ' ' LYS . . . -120.32 135.35 55.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.335 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.451 ' CD2' ' CE2' ' A' ' 221' ' ' TYR . 4.2 p90 -157.04 79.99 0.92 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 129.33 -99.37 0.47 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 154' ' ' ARG . 1.2 mptt -133.67 9.93 3.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 0.806 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.92 153.65 48.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.763 ' HB2' ' HB2' ' A' ' 139' ' ' ALA . 0.1 OUTLIER -141.16 138.19 33.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.755 HD13 HD13 ' A' ' 169' ' ' LEU . 0.8 OUTLIER -123.65 132.09 53.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.399 1.062 . . . . 0.0 109.267 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.519 ' HB2' ' CG1' ' A' ' 137' ' ' VAL . 28.8 t-20 -134.21 112.18 10.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 166' ' ' PHE . 15.6 mt -76.34 -41.7 47.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.172 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -54.19 -25.49 32.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.12 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 20.8 m -119.04 -7.16 10.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 0.764 . . . . 0.0 110.401 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 150' ' ' ARG . 0.0 OUTLIER 45.8 53.91 8.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.644 1.215 . . . . 0.0 110.32 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.458 ' HB3' ' CE2' ' A' ' 153' ' ' PHE . 7.3 mm-40 -144.75 116.01 7.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.157 . . . . 0.0 110.297 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.471 ' O ' ' N ' ' A' ' 159' ' ' MET . 8.6 ttt -119.28 144.57 46.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 111.082 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.553 ' CD1' ' N ' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -156.45 151.6 26.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.934 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.542 ' O ' ' CB ' ' A' ' 155' ' ' GLU . 0.0 OUTLIER -127.12 103.67 7.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.542 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 5.7 tt0 89.2 -32.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.312 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.434 ' CB ' ' O ' ' A' ' 155' ' ' GLU . 0.9 OUTLIER 160.7 -28.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 1.3 mt-10 -62.45 125.41 85.85 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.389 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.86 147.41 34.56 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.552 1.817 . . . . 0.0 111.036 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' MET . . . . . 0.471 ' N ' ' O ' ' A' ' 152' ' ' MET . 20.0 mtp -140.33 105.11 6.56 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 160' ' ' PRO . . . . . 0.431 ' HA ' HH21 ' A' ' 150' ' ' ARG . 18.3 Cg_endo -74.91 147.13 33.9 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.411 1.743 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 4.5 mt -121.94 132.96 54.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.38 1.05 . . . . 0.0 109.232 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' THR . . . . . 0.512 HG22 ' N ' ' A' ' 163' ' ' SER . 32.7 m -78.38 171.56 14.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.539 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.512 ' N ' HG22 ' A' ' 162' ' ' THR . 57.9 m -56.31 -50.65 70.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 109.945 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.602 ' O ' HG23 ' A' ' 168' ' ' VAL . . . -63.98 -44.98 95.16 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.53 1.144 . . . . 0.0 111.073 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 168' ' ' VAL . 70.4 mt-10 -57.5 -65.97 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.397 0.704 . . . . 0.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.553 ' CE1' ' HG3' ' A' ' 170' ' ' LYS . 2.5 t80 -44.93 -28.18 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 111.071 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -77.46 -41.59 39.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.884 HG22 HD13 ' A' ' 201' ' ' ILE . 71.2 t -62.36 -59.61 4.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.755 HD13 HD13 ' A' ' 145' ' ' LEU . 1.6 mt -58.88 -24.16 61.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 170' ' ' LYS . . . . . 0.553 ' HG3' ' CE1' ' A' ' 166' ' ' PHE . 0.0 OUTLIER -62.3 -67.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.368 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 175' ' ' HIS . . . -50.29 -45.58 54.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.153 . . . . 0.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.567 HD11 ' HB3' ' A' ' 230' ' ' TYR . 1.1 tp -61.22 -43.24 99.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.402 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 169' ' ' LEU . 61.0 t -80.0 -1.7 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.374 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 174' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 170' ' ' LYS . 1.0 OUTLIER -123.47 11.82 9.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 175' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 171' ' ' ALA . 10.4 m-70 -123.17 76.07 51.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.567 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 103.07 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.547 1.814 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.405 ' HB3' ' NH1' ' A' ' 177' ' ' ARG . 16.3 ttm105 56.6 48.37 16.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.343 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.417 ' H ' HG23 ' A' ' 231' ' ' VAL . 1.4 tm-20 -156.0 92.53 2.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 179' ' ' PRO . . . . . 0.573 ' HG2' HD13 ' A' ' 228' ' ' LEU . 18.4 Cg_endo -74.93 144.23 30.25 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.57 1.826 . . . . 0.0 111.045 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 180' ' ' LEU . 2.7 tp -142.74 137.98 30.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.239 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 181' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 184' ' ' LYS . 3.6 m -48.22 137.19 11.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.038 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 182' ' ' ARG . . . . . 0.674 ' HA ' HD13 ' A' ' 185' ' ' LEU . 0.1 OUTLIER -46.33 -26.97 0.92 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -36.69 78.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 184' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 181' ' ' SER . 2.9 mmtm -76.87 -36.7 56.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.387 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.674 HD13 ' HA ' ' A' ' 182' ' ' ARG . 4.9 mp -53.43 -47.22 69.84 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 186' ' ' MET . . . . . 0.579 ' O ' ' HB3' ' A' ' 189' ' ' ALA . 0.3 OUTLIER -75.21 -51.71 12.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 111.047 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -52.04 -57.94 8.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 41.1 tp -52.74 -32.85 45.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 189' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 186' ' ' MET . . . -66.51 -59.0 4.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.295 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.05 38.51 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.412 1.07 . . . . 0.0 110.233 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -74.1 161.9 54.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.4 -39.9 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -93.19 117.2 29.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.36 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 194' ' ' TYR . . . . . 0.601 ' CD1' ' N ' ' A' ' 195' ' ' SER . 26.1 p90 -38.43 -38.54 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 195' ' ' SER . . . . . 0.601 ' N ' ' CD1' ' A' ' 194' ' ' TYR . 0.3 OUTLIER 45.7 84.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.916 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.414 ' HB2' ' HE3' ' A' ' 186' ' ' MET . . . -163.39 -48.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 28.4 ttm -96.41 33.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.075 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -126.67 -46.02 1.6 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.256 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -166.72 90.73 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.331 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 3.8 m -40.92 158.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.087 . . . . 0.0 110.064 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.884 HD13 HG22 ' A' ' 168' ' ' VAL . 3.4 mm -55.85 -47.95 78.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.369 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -55.23 37.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 55.8 t -55.17 -59.88 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 204' ' ' GLN . . . . . 0.556 ' O ' HD23 ' A' ' 208' ' ' LEU . 0.0 OUTLIER -50.66 -55.75 15.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.245 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.556 HG13 ' CD2' ' A' ' 230' ' ' TYR . 4.6 mm -44.72 -54.02 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.43 -45.51 18.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.944 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.17 -31.52 70.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 208' ' ' LEU . . . . . 0.621 ' O ' HG22 ' A' ' 212' ' ' VAL . 4.6 mm? -71.45 -29.75 65.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 209' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 213' ' ' GLU . 42.8 mtt180 -66.32 -43.48 86.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -23.32 62.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.345 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 34.3 ttm -70.88 -60.91 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 212' ' ' VAL . . . . . 0.894 HG23 ' HG2' ' A' ' 213' ' ' GLU . 16.0 m -79.96 -32.91 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.894 ' HG2' HG23 ' A' ' 212' ' ' VAL . 3.6 mm-40 -122.28 -148.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 214' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 215' ' ' ASP . 2.6 tm-20 -172.11 -47.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.325 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 215' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 214' ' ' GLU . 8.1 t0 -39.81 100.12 0.21 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 216' ' ' PRO . . . . . 0.4 ' N ' ' O ' ' A' ' 214' ' ' GLU . 18.2 Cg_endo -75.01 56.01 4.13 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 110.946 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 217' ' ' ALA . . . . . 0.464 ' O ' ' CG ' ' A' ' 218' ' ' HIS . . . -148.46 -52.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 218' ' ' HIS . . . . . 0.464 ' CG ' ' O ' ' A' ' 217' ' ' ALA . 8.6 m-70 -167.2 117.06 0.71 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.648 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -159.59 0.09 OUTLIER 'Trans proline' 0 C--N 1.358 1.069 0 O-C-N 124.455 1.766 . . . . 0.0 111.049 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -129.02 -54.69 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.58 ' O ' HD13 ' A' ' 222' ' ' ILE . 87.4 m-85 -88.31 21.62 2.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 222' ' ' ILE . . . . . 0.58 HD13 ' O ' ' A' ' 221' ' ' TYR . 17.5 mm -142.43 114.24 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.413 1.07 . . . . 0.0 109.308 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 223' ' ' GLN . . . . . 0.516 ' O ' HG12 ' A' ' 231' ' ' VAL . 1.1 mt-30 -119.52 81.96 1.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.353 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 224' ' ' THR . . . . . 0.444 HG23 ' CD2' ' A' ' 230' ' ' TYR . 41.7 m -86.21 115.14 23.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 225' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 229' ' ' GLY . 0.0 OUTLIER -118.02 99.01 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 109.294 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 1.9 p90 -50.55 -35.07 28.04 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -60.69 -25.47 63.56 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.516 1.135 . . . . 0.0 111.072 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 228' ' ' LEU . . . . . 0.573 HD13 ' HG2' ' A' ' 179' ' ' PRO . 5.4 mt -118.78 -74.16 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 0.775 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 229' ' ' GLY . . . . . 0.55 ' C ' ' CD1' ' A' ' 230' ' ' TYR . . . 179.85 -108.5 0.24 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 230' ' ' TYR . . . . . 0.567 ' HB3' HD11 ' A' ' 172' ' ' LEU . 30.6 m-85 -147.59 115.27 6.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 0.74 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 231' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 223' ' ' GLN . 3.3 p -119.65 161.28 19.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 5.0 t80 -124.68 100.6 6.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 233' ' ' VAL . . . . . 0.676 HG21 ' HB2' ' A' ' 239' ' ' ALA . 55.1 t -106.66 103.61 47.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 167.23 27.51 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.469 1.773 . . . . 0.0 110.997 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -50.65 97.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.241 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . 178.77 -130.79 1.6 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -162.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 109.976 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.85 173.22 10.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 239' ' ' ALA . . . . . 0.676 ' HB2' HG21 ' A' ' 233' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.734 HG12 ' CG ' ' A' ' 146' ' ' ASN . 1.0 OUTLIER -70.26 -178.37 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.207 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.867 HG12 HG21 ' A' ' 173' ' ' VAL . 1.9 mp -141.7 111.69 2.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.484 ' CB ' ' HA ' ' A' ' 144' ' ' LYS . . . -124.07 155.05 39.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.58 ' HB2' ' CD1' ' A' ' 143' ' ' PHE . 7.6 m-85 -129.87 -177.97 4.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 111.027 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.508 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -28.06 -81.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.569 1.168 . . . . 0.0 111.067 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.504 ' C ' ' CD1' ' A' ' 143' ' ' PHE . 1.6 mttt -108.59 43.57 1.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 0.726 . . . . 0.0 109.345 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.582 ' CD2' ' HG3' ' A' ' 154' ' ' ARG . 0.7 OUTLIER -144.02 161.77 37.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.484 ' HA ' ' CB ' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -159.93 108.42 1.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.216 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.714 HD12 ' SD ' ' A' ' 152' ' ' MET . 5.2 tt -120.13 157.15 29.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.734 ' CG ' HG12 ' A' ' 137' ' ' VAL . 0.6 OUTLIER -156.96 127.02 6.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.67 ' N ' HD21 ' A' ' 146' ' ' ASN . 2.0 mp -80.06 -49.44 11.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -53.64 -32.12 46.2 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.452 1.095 . . . . 0.0 111.028 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 85.4 m -102.06 -14.11 17.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 0.737 . . . . 0.0 110.401 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 49.08 52.4 14.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 110.381 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.417 ' HB3' ' CE1' ' A' ' 153' ' ' PHE . 27.7 mm-40 -147.64 117.73 7.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.714 ' SD ' HD12 ' A' ' 145' ' ' LEU . 10.2 ttt -125.49 154.93 41.32 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.537 ' CD1' ' O ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -157.89 172.41 18.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 111.0 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.582 ' HG3' ' CD2' ' A' ' 143' ' ' PHE . 0.1 OUTLIER -160.14 123.53 3.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.233 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 57.66 50.81 10.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 2.2 t0 62.2 23.7 14.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.419 1.075 . . . . 0.0 109.236 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 3.1 tm-20 -110.43 103.21 53.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.22 21.4 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.542 1.812 . . . . 0.0 110.93 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 1.5 ptm -160.0 127.82 2.79 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -164.56 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 111.016 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.571 HD11 ' CD1' ' A' ' 145' ' ' LEU . 6.0 mt -143.68 138.54 28.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 162' ' ' THR . . . . . 0.46 HG22 ' H ' ' A' ' 164' ' ' GLY . 31.0 m -75.0 149.23 39.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.541 1.151 . . . . 0.0 110.372 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 50.0 m -45.41 -37.27 4.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.93 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.916 ' O ' HG23 ' A' ' 168' ' ' VAL . . . -72.6 -52.01 10.89 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.556 1.16 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 204' ' ' GLN . 0.1 OUTLIER -55.97 -64.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 0.757 . . . . 0.0 110.324 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.526 ' CE2' ' HA ' ' A' ' 147' ' ' LEU . 5.3 t80 -43.87 -50.71 7.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.614 ' HB1' ' CB ' ' A' ' 189' ' ' ALA . . . -59.99 -49.38 77.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.916 HG23 ' O ' ' A' ' 164' ' ' GLY . 79.6 t -57.08 -61.49 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.388 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.626 ' HB2' HD13 ' A' ' 208' ' ' LEU . 5.0 tt -58.74 -19.7 42.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 170' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 174' ' ' SER . 22.4 tttt -79.89 -55.19 5.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.076 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.648 ' HA ' HD22 ' A' ' 188' ' ' LEU . . . -61.23 -26.29 67.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.802 HD22 ' HB2' ' A' ' 232' ' ' PHE . 2.3 mt -79.92 -50.69 10.09 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.867 HG21 HG12 ' A' ' 138' ' ' ILE . 0.6 OUTLIER -78.1 0.12 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.344 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 174' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 170' ' ' LYS . 7.4 m -95.95 -22.68 17.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.609 1.193 . . . . 0.0 109.942 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 175' ' ' HIS . . . . . 0.419 ' NE2' ' OE2' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -121.03 89.63 46.31 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.609 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.14 120.02 5.85 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.466 1.771 . . . . 0.0 110.958 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 62.39 31.09 17.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.419 ' OE2' ' NE2' ' A' ' 175' ' ' HIS . 0.2 OUTLIER -131.72 88.61 41.97 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 110.276 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 179' ' ' PRO . . . . . 0.474 ' HG2' HD12 ' A' ' 228' ' ' LEU . 18.4 Cg_endo -74.92 138.94 23.9 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.515 1.797 . . . . 0.0 111.042 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.802 HD22 ' HG3' ' A' ' 184' ' ' LYS . 6.4 mt -142.53 165.77 26.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.178 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.17 154.75 33.83 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.431 1.082 . . . . 0.0 109.989 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 182' ' ' ARG . . . . . 0.504 ' HG3' ' CE1' ' A' ' 230' ' ' TYR . 0.0 OUTLIER -51.47 -33.03 29.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.285 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -68.67 -48.81 62.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.181 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 184' ' ' LYS . . . . . 0.802 ' HG3' HD22 ' A' ' 180' ' ' LEU . 2.4 mmtt -52.65 -35.6 55.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.243 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.764 HD22 HD12 ' A' ' 201' ' ' ILE . 5.4 mp -57.63 -64.47 0.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 21.7 ptm -62.24 -24.33 67.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 111.044 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.76 -32.72 52.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.648 HD22 ' HA ' ' A' ' 171' ' ' ALA . 3.8 tt -69.3 -39.6 78.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 189' ' ' ALA . . . . . 0.614 ' CB ' ' HB1' ' A' ' 167' ' ' ALA . . . -53.82 -62.93 1.34 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.54 85.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 110.269 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -108.53 -93.65 2.3 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.428 1.08 . . . . 0.0 111.049 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 179.85 -37.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.772 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -69.35 176.78 3.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.249 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 194' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -70.4 78.37 0.55 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 17.7 t -126.93 44.77 2.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.051 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -128.45 -66.8 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 3.4 tpt -42.56 -34.91 0.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.86 62.63 4.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.68 80.97 7.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.619 1.199 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 200' ' ' SER . . . . . 0.503 ' O ' ' CG ' ' A' ' 204' ' ' GLN . 0.1 OUTLIER -135.12 78.91 1.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.605 1.191 . . . . 0.0 109.949 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.764 HD12 HD22 ' A' ' 185' ' ' LEU . 2.8 mm -80.83 -71.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -44.15 -28.74 0.53 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.438 1.086 . . . . 0.0 109.2 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 203' ' ' VAL . . . . . 0.413 ' N ' ' C ' ' A' ' 201' ' ' ILE . 66.7 t -80.08 -55.85 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.215 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 204' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 200' ' ' SER . 14.3 mm-40 -50.24 -58.51 5.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 205' ' ' ILE . . . . . . . . . . . . . 4.4 pt -48.57 -26.99 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.29 -36.52 58.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 207' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 204' ' ' GLN . 67.1 mtt180 -79.12 -34.22 43.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.382 1.051 . . . . 0.0 110.33 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 208' ' ' LEU . . . . . 0.626 HD13 ' HB2' ' A' ' 169' ' ' LEU . 17.0 mt -72.1 -31.81 66.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.587 1.179 . . . . 0.0 109.259 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 209' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 213' ' ' GLU . 3.9 mmp_? -72.92 -43.87 61.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.386 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -69.08 -17.82 63.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.345 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 1.5 ttp -75.11 -62.56 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 111.044 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 212' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 208' ' ' LEU . 6.5 m -81.08 -34.46 13.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 209' ' ' ARG . 17.0 mm-40 -115.12 88.61 2.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -70.6 61.98 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.339 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -134.13 153.32 79.52 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -32.36 5.4 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.468 1.772 . . . . 0.0 111.047 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -158.45 61.96 0.44 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 109.233 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -144.21 69.94 16.08 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 109.484 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -159.63 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.787 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 220' ' ' ARG . . . . . 0.583 ' HG2' ' CE1' ' A' ' 221' ' ' TYR . 0.0 OUTLIER -179.78 -67.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.736 ' O ' HD13 ' A' ' 222' ' ' ILE . 42.1 m-85 -88.49 21.14 3.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 222' ' ' ILE . . . . . 0.736 HD13 ' O ' ' A' ' 221' ' ' TYR . 18.9 mm -143.71 117.34 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.387 1.055 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -119.21 88.76 2.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.417 1.073 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 33.5 m -83.31 113.16 20.51 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.453 1.096 . . . . 0.0 110.364 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 225' ' ' VAL . . . . . 0.47 HG23 ' H ' ' A' ' 229' ' ' GLY . 35.0 m -125.36 119.3 55.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -67.0 -33.1 74.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.614 1.197 . . . . 0.0 108.038 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -59.1 -21.9 54.2 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.4 1.063 . . . . 0.0 111.018 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 228' ' ' LEU . . . . . 0.474 HD12 ' HG2' ' A' ' 179' ' ' PRO . 0.2 OUTLIER -128.53 -76.64 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 0.71 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 229' ' ' GLY . . . . . 0.47 ' H ' HG23 ' A' ' 225' ' ' VAL . . . 176.67 -115.91 0.53 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.432 1.083 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 230' ' ' TYR . . . . . 0.575 ' HB2' HD11 ' A' ' 185' ' ' LEU . 11.7 m-85 -136.06 114.53 11.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.363 0.684 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 3.1 p -119.47 156.25 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.802 ' HB2' HD22 ' A' ' 172' ' ' LEU . 30.0 t80 -119.81 98.77 6.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 111.081 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 73.2 t -106.04 104.35 49.03 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.371 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 115.59 4.33 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.558 1.82 . . . . 0.0 110.952 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.53 117.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -42.36 104.21 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 111.071 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 90.4 p -162.36 174.29 12.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.586 0.815 . . . . 0.0 109.987 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -87.73 -63.56 1.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.924 ' O ' HD13 ' A' ' 138' ' ' ILE . 0.9 OUTLIER -133.13 -176.52 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.924 HD13 ' O ' ' A' ' 137' ' ' VAL . 1.4 mm -134.93 107.15 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.494 ' CB ' ' HA ' ' A' ' 144' ' ' LYS . . . -129.87 156.41 44.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 109.239 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.638 ' HE1' HG22 ' A' ' 138' ' ' ILE . 0.9 OUTLIER -135.6 79.26 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 57.2 -82.52 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.416 1.073 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 140' ' ' PHE . 0.0 OUTLIER -78.22 -41.62 33.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 109.331 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 212' ' ' VAL . 56.5 m-85 -73.86 162.43 29.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.037 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.494 ' HA ' ' CB ' ' A' ' 139' ' ' ALA . 2.3 ptpp? -160.39 105.28 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.859 HD12 ' H ' ' A' ' 146' ' ' ASN . 0.1 OUTLIER -122.91 159.95 27.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.386 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.859 ' H ' HD12 ' A' ' 145' ' ' LEU . 64.7 t-20 -160.23 122.52 3.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.221 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.619 HD12 HD11 ' A' ' 145' ' ' LEU . 8.6 mp -83.97 -44.26 14.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.219 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -60.02 -13.69 28.12 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 33.6 m -114.6 -33.83 5.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.406 0.71 . . . . 0.0 110.328 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 6.4 ttp85 74.43 42.94 0.29 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.383 1.052 . . . . 0.0 110.329 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -150.41 120.7 7.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.522 ' C ' ' CD1' ' A' ' 153' ' ' PHE . 10.2 ttt -128.49 142.82 50.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 111.038 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.522 ' CD1' ' C ' ' A' ' 152' ' ' MET . 0.2 OUTLIER -134.47 169.27 17.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 111.042 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.41 ' HG3' ' CE1' ' A' ' 143' ' ' PHE . 1.3 tmt_? -148.56 115.85 6.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.351 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 51.87 62.25 2.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 54.25 61.23 3.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -152.29 102.6 2.77 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.506 1.129 . . . . 0.0 110.375 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.413 ' HA ' ' CD1' ' A' ' 153' ' ' PHE . 18.1 Cg_endo -75.03 125.34 9.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 110.949 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 6.9 ptm -145.9 130.16 8.72 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 110.948 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -179.74 5.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.538 1.809 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.416 HD11 ' HB3' ' A' ' 152' ' ' MET . 3.3 mp -135.49 118.98 16.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 162' ' ' THR . . . . . 0.615 HG22 ' H ' ' A' ' 164' ' ' GLY . 19.5 m -53.55 142.62 22.03 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.123 . . . . 0.0 110.409 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.5 p -44.67 -30.28 0.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 110.013 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 164' ' ' GLY . . . . . 0.615 ' H ' HG22 ' A' ' 162' ' ' THR . . . -74.1 -41.64 38.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 111.042 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.646 ' HA ' HD21 ' A' ' 208' ' ' LEU . 31.7 mt-10 -62.04 -70.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 0.744 . . . . 0.0 110.314 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.593 ' CE2' ' HA ' ' A' ' 147' ' ' LEU . 4.1 t80 -40.88 -46.0 2.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.933 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 1.06 ' HB1' ' HB1' ' A' ' 189' ' ' ALA . . . -58.68 -61.73 2.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.674 HG22 HD11 ' A' ' 201' ' ' ILE . 41.6 t -55.06 -55.68 14.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 5.1 tt -49.35 -50.64 39.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 170' ' ' LYS . . . . . 0.585 ' HA ' HG12 ' A' ' 173' ' ' VAL . 14.8 tmtt? -53.83 -41.86 67.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 109.274 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 185' ' ' LEU . . . -65.27 -30.02 70.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.646 HD11 ' CD1' ' A' ' 205' ' ' ILE . 1.4 mt -80.28 -50.11 10.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.585 HG12 ' HA ' ' A' ' 170' ' ' LYS . 1.1 p -78.11 -0.15 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.218 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 174' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 170' ' ' LYS . 0.5 OUTLIER -73.44 -24.9 60.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 175' ' ' HIS . . . . . 0.426 ' HB2' HD11 ' A' ' 180' ' ' LEU . 0.1 OUTLIER -146.89 95.7 4.44 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.565 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 176' ' ' PRO . . . . . 0.456 ' O ' ' CB ' ' A' ' 177' ' ' ARG . 18.2 Cg_endo -75.01 138.06 22.5 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.47 1.774 . . . . 0.0 111.043 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.456 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 4.7 ttm180 80.87 -55.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -70.71 115.18 33.02 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.62 1.2 . . . . 0.0 110.259 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 179' ' ' PRO . . . . . 0.403 ' HA ' ' HB ' ' A' ' 231' ' ' VAL . 18.0 Cg_endo -75.08 155.01 42.52 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.552 1.817 . . . . 0.0 110.948 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.599 HD13 ' CD1' ' A' ' 188' ' ' LEU . 49.3 mt -132.71 161.96 32.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 181' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 184' ' ' LYS . 28.2 p -84.13 150.09 25.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 182' ' ' ARG . . . . . 0.46 ' HA ' HD13 ' A' ' 185' ' ' LEU . 0.3 OUTLIER -47.65 -34.66 8.34 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 183' ' ' ASP . . . . . 0.43 ' O ' ' ND2' ' A' ' 187' ' ' ASN . 91.9 m-20 -70.04 -36.15 74.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.426 1.079 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 184' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 181' ' ' SER . 0.0 OUTLIER -79.82 -8.76 59.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.582 HD22 HD12 ' A' ' 201' ' ' ILE . 0.1 OUTLIER -78.34 -61.97 1.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -30.95 69.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 187' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 183' ' ' ASP . 52.8 m-20 -63.25 -54.76 32.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.599 ' CD1' HD13 ' A' ' 180' ' ' LEU . 11.5 mt -53.42 -20.76 5.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.368 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 189' ' ' ALA . . . . . 1.06 ' HB1' ' HB1' ' A' ' 167' ' ' ALA . . . -103.09 40.65 1.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -79.97 55.72 2.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.263 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -86.32 168.36 40.35 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.569 1.168 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.9 -44.01 14.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 0.734 . . . . 0.0 110.29 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.61 141.23 58.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.377 1.048 . . . . 0.0 110.253 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 194' ' ' TYR . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 197' ' ' MET . 0.2 OUTLIER -38.96 -63.4 0.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 111.1 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 47.4 t 39.61 46.73 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 110.055 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -148.82 -60.99 0.23 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 197' ' ' MET . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 194' ' ' TYR . 0.0 OUTLIER -88.94 37.1 0.83 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -135.19 81.64 1.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 199' ' ' ARG . . . . . 0.43 ' HG2' HG12 ' A' ' 203' ' ' VAL . 2.1 mtt180 68.92 99.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.64 145.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.674 HD11 HG22 ' A' ' 168' ' ' VAL . 0.3 OUTLIER -42.49 -49.79 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 202' ' ' ASP . . . . . 0.409 ' N ' HG22 ' A' ' 201' ' ' ILE . 6.8 t70 -49.29 -55.45 12.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.368 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 203' ' ' VAL . . . . . 0.43 HG12 ' HG2' ' A' ' 199' ' ' ARG . 85.3 t -61.45 -51.6 70.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.308 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 204' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -49.55 -51.6 35.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.646 ' CD1' HD11 ' A' ' 172' ' ' LEU . 4.6 mm -48.46 -48.78 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 2.1 t -56.55 -37.67 70.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.17 -19.62 46.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 208' ' ' LEU . . . . . 0.646 HD21 ' HA ' ' A' ' 165' ' ' GLU . 5.7 mt -80.47 -53.47 6.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.586 1.179 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 209' ' ' ARG . . . . . 0.511 ' HB3' HG21 ' A' ' 222' ' ' ILE . 0.0 OUTLIER -59.07 -37.25 76.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.372 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -34.68 76.45 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.448 1.093 . . . . 0.0 110.351 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 211' ' ' MET . . . . . 0.403 ' CE ' ' OE1' ' A' ' 165' ' ' GLU . 11.3 mtp -70.63 -53.46 15.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 212' ' ' VAL . . . . . 0.597 ' O ' ' CE1' ' A' ' 143' ' ' PHE . 25.7 m -72.05 -49.54 43.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.477 ' N ' HG23 ' A' ' 212' ' ' VAL . 1.8 mt-10 -105.58 89.43 3.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.543 1.152 . . . . 0.0 110.253 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -76.57 58.48 1.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.599 1.187 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -134.95 96.15 14.74 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 56.28 4.23 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.484 1.781 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -148.5 -52.22 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.371 1.045 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 218' ' ' HIS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 219' ' ' PRO . 14.9 p-80 -162.4 131.25 3.01 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.668 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 219' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 218' ' ' HIS . 18.1 Cg_endo -74.99 -159.65 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.492 1.785 . . . . 0.0 110.952 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -167.22 -55.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.252 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 232' ' ' PHE . 96.2 m-85 -89.53 21.45 3.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 222' ' ' ILE . . . . . 0.511 HG21 ' HB3' ' A' ' 209' ' ' ARG . 8.6 mm -142.53 110.1 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.404 1.065 . . . . 0.0 109.266 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 223' ' ' GLN . . . . . 0.642 ' O ' HG12 ' A' ' 231' ' ' VAL . 48.3 mm-40 -120.73 121.51 38.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 110.249 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 224' ' ' THR . . . . . 0.48 ' O ' HG13 ' A' ' 225' ' ' VAL . 13.3 t -100.8 166.94 10.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 225' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 224' ' ' THR . 0.0 OUTLIER -160.44 108.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.232 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -53.4 -46.32 69.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.004 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -54.35 -22.16 22.09 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.534 1.147 . . . . 0.0 110.988 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 228' ' ' LEU . . . . . 0.435 ' HA ' HD13 ' A' ' 228' ' ' LEU . 1.4 mm? -121.35 -88.78 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 0.782 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 229' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . -175.94 -87.23 0.07 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.121 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 230' ' ' TYR . . . . . 0.535 ' HB2' HD11 ' A' ' 185' ' ' LEU . 53.5 m-85 -152.47 121.08 6.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 231' ' ' VAL . . . . . 0.642 HG12 ' O ' ' A' ' 223' ' ' GLN . 7.2 p -119.53 168.83 11.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 221' ' ' TYR . 5.0 t80 -120.38 97.56 5.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 60.1 t -110.86 112.25 56.01 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 162.59 36.82 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.559 1.821 . . . . 0.0 110.981 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.83 167.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -112.34 106.64 1.93 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.43 1.081 . . . . 0.0 111.063 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 51.1 m 65.84 95.58 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.963 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.1 99.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.078 . . . . 0.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.972 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.519 HG12 ' CG ' ' A' ' 146' ' ' ASN . 0.8 OUTLIER -110.03 169.15 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.613 1.196 . . . . 0.0 109.252 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.887 HG13 HG21 ' A' ' 173' ' ' VAL . 28.9 mm -123.17 104.11 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.488 ' CB ' ' HA ' ' A' ' 144' ' ' LYS . . . -120.0 151.65 38.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.687 ' CE1' HG22 ' A' ' 138' ' ' ILE . 3.5 m-85 -125.58 -178.13 4.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -32.91 -87.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.449 1.093 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.568 ' C ' ' CD1' ' A' ' 143' ' ' PHE . 0.3 OUTLIER -98.14 43.73 1.06 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.445 0.732 . . . . 0.0 109.344 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.61 ' CD1' ' N ' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -148.73 166.36 28.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.488 ' HA ' ' CB ' ' A' ' 139' ' ' ALA . 0.1 OUTLIER -160.4 108.91 1.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 109.357 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.873 HD12 ' H ' ' A' ' 146' ' ' ASN . 0.1 OUTLIER -120.47 162.04 20.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 0.0 109.253 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.873 ' H ' HD12 ' A' ' 145' ' ' LEU . 56.8 t-20 -155.85 118.41 4.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.634 HD23 ' CE1' ' A' ' 166' ' ' PHE . 5.5 mp -82.34 -22.97 35.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -80.38 9.62 47.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' THR . . . . . 0.577 HG22 ' HB3' ' A' ' 146' ' ' ASN . 0.7 OUTLIER -144.97 -37.82 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 0.787 . . . . 0.0 110.275 -179.898 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 149' ' ' THR . 1.2 mtt180 83.14 43.87 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 153' ' ' PHE . 6.4 mt-10 -137.48 115.18 11.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 159' ' ' MET . 0.2 OUTLIER -119.3 145.24 46.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 110.982 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -150.3 149.9 30.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.562 ' HG3' ' CD2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -145.77 123.17 11.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.089 . . . . 0.0 110.32 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.409 ' C ' ' N ' ' A' ' 157' ' ' GLU . 3.0 tt0 72.18 58.88 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 5.5 t0 45.7 25.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 155' ' ' GLU . 0.2 OUTLIER -125.73 137.96 31.03 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.12 43.05 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.437 1.756 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 152' ' ' MET . 7.5 tpp -160.23 108.97 1.39 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 178.79 6.81 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.385 1.729 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -159.74 123.74 3.77 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.62 1.2 . . . . 0.0 109.237 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 162' ' ' THR . . . . . 0.4 ' OG1' ' N ' ' A' ' 163' ' ' SER . 4.2 t -64.77 176.08 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.36 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 163' ' ' SER . . . . . 0.4 ' N ' ' OG1' ' A' ' 162' ' ' THR . 19.3 m -66.15 -29.43 69.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.589 1.18 . . . . 0.0 110.051 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -62.79 -53.79 38.37 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.525 1.14 . . . . 0.0 110.958 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -55.58 -64.41 0.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.626 0.839 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.634 ' CE1' HD23 ' A' ' 147' ' ' LEU . 3.0 t80 -46.17 -41.76 13.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.672 ' HB1' ' HB1' ' A' ' 189' ' ' ALA . . . -55.55 -64.13 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.424 HG13 ' CD1' ' A' ' 201' ' ' ILE . 89.8 t -61.1 -53.91 42.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.571 HD21 HD21 ' A' ' 145' ' ' LEU . 1.3 tt -47.95 -59.14 3.57 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.405 1.066 . . . . 0.0 109.247 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 170' ' ' LYS . . . . . 0.722 ' HA ' HG12 ' A' ' 173' ' ' VAL . 0.0 OUTLIER -49.46 -44.03 45.48 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.582 1.177 . . . . 0.0 109.291 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -63.78 -30.56 71.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.393 1.058 . . . . 0.0 109.351 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.72 HD11 ' CD1' ' A' ' 205' ' ' ILE . 0.3 OUTLIER -79.03 -49.98 11.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.887 HG21 HG13 ' A' ' 138' ' ' ILE . 7.5 p -71.9 -6.53 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.605 1.19 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 41.4 t -61.97 -44.62 96.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.604 1.19 . . . . 0.0 110.004 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -123.72 88.77 51.87 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.604 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 176' ' ' PRO . . . . . 0.422 ' O ' ' CB ' ' A' ' 177' ' ' ARG . 18.3 Cg_endo -75.03 64.96 6.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.463 1.77 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.422 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 0.0 OUTLIER 163.73 -53.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -76.26 130.29 77.98 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.075 . . . . 0.0 110.372 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 179' ' ' PRO . . . . . 0.778 ' C ' HD22 ' A' ' 180' ' ' LEU . 18.4 Cg_endo -75.05 165.21 31.72 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.778 HD22 ' C ' ' A' ' 179' ' ' PRO . 3.8 mm? -137.76 172.1 13.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.565 1.166 . . . . 0.0 109.25 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 181' ' ' SER . . . . . 0.554 ' O ' HD12 ' A' ' 185' ' ' LEU . 39.8 p -108.69 141.96 39.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.03 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -41.75 -32.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 110.253 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -76.67 -56.67 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.409 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -53.67 -28.29 32.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.358 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.584 HD21 ' HB2' ' A' ' 230' ' ' TYR . 1.3 mp -63.23 -65.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.279 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 186' ' ' MET . . . . . 0.459 ' HB2' ' HB1' ' A' ' 196' ' ' ALA . 16.8 ptm -59.35 -25.75 64.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.981 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -63.69 -51.7 63.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.388 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.2 -48.64 72.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 189' ' ' ALA . . . . . 0.672 ' HB1' ' HB1' ' A' ' 167' ' ' ALA . . . -48.74 -47.48 41.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.599 1.187 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -66.65 77.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.255 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -95.72 -97.35 1.77 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.615 1.197 . . . . 0.0 111.069 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -68.67 -53.89 19.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 0.0 110.264 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -108.96 176.55 5.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.39 1.056 . . . . 0.0 110.33 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 194' ' ' TYR . . . . . 0.599 ' CD1' ' C ' ' A' ' 194' ' ' TYR . 0.0 OUTLIER -86.34 42.01 0.97 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 110.995 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.97 -53.16 35.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.097 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.601 ' HB2' ' HB3' ' A' ' 189' ' ' ALA . . . -46.18 -34.03 4.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 1.076 . . . . 0.0 109.244 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.7 45.58 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 110.986 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -94.68 -53.69 3.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.6 -76.34 0.19 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.475 1.109 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.0 148.94 0.54 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.514 1.134 . . . . 0.0 109.947 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.479 ' CD1' ' HB3' ' A' ' 185' ' ' LEU . 3.8 mm -63.75 -65.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.88 -28.91 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 203' ' ' VAL . . . . . 0.436 ' N ' ' C ' ' A' ' 201' ' ' ILE . 25.3 t -80.22 -52.93 13.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 204' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -60.42 -45.37 93.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.72 ' CD1' HD11 ' A' ' 172' ' ' LEU . 19.0 mm -46.51 -56.47 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 206' ' ' SER . . . . . 0.455 ' O ' ' CB ' ' A' ' 210' ' ' ARG . 40.0 t -51.45 -36.35 43.63 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.404 1.065 . . . . 0.0 110.056 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 207' ' ' ARG . . . . . 0.412 ' NH1' ' NH1' ' A' ' 210' ' ' ARG . 14.2 mmt180 -75.63 -26.39 57.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.388 1.055 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 62.5 mt -79.01 -47.36 16.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 209' ' ' ARG . . . . . 0.75 ' HB3' HG21 ' A' ' 222' ' ' ILE . 0.0 OUTLIER -71.49 -33.46 69.28 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 210' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 206' ' ' SER . 1.4 tmt_? -71.55 -27.09 62.92 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.535 1.147 . . . . 0.0 110.235 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -59.78 2.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 212' ' ' VAL . . . . . . . . . . . . . 25.4 m -77.15 -45.08 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -108.23 91.45 3.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 0.0 110.345 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -38.79 -73.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.172 . . . . 0.0 110.283 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.5 124.19 90.41 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 216' ' ' PRO . . . . . 0.42 ' HB3' ' NE ' ' A' ' 209' ' ' ARG . 18.5 Cg_endo -74.95 -20.16 17.26 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.527 1.804 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -70.14 -19.82 63.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -130.72 77.29 75.89 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.612 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -159.82 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.447 1.762 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -173.66 -73.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.39 1.057 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.551 ' CD2' ' HA ' ' A' ' 234' ' ' PRO . 90.3 m-85 -89.86 21.9 3.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 222' ' ' ILE . . . . . 0.75 HG21 ' HB3' ' A' ' 209' ' ' ARG . 15.9 mm -144.58 113.73 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 223' ' ' GLN . . . . . 0.565 ' O ' HG23 ' A' ' 225' ' ' VAL . 3.3 mm100 -120.38 90.12 3.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 224' ' ' THR . . . . . 0.429 HG23 ' CE1' ' A' ' 230' ' ' TYR . 94.9 m -65.87 113.29 4.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.355 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 225' ' ' VAL . . . . . 0.59 HG11 HD12 ' A' ' 228' ' ' LEU . 17.3 t -113.49 109.55 28.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.401 1.063 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -60.31 -49.04 79.19 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -53.26 -37.44 54.95 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 228' ' ' LEU . . . . . 0.59 HD12 HG11 ' A' ' 225' ' ' VAL . 2.9 mt -103.68 -88.23 0.42 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.46 0.741 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 229' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . -178.53 -78.78 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.085 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 230' ' ' TYR . . . . . 0.584 ' HB2' HD21 ' A' ' 185' ' ' LEU . 88.7 m-85 -160.15 123.48 3.52 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.5 0.765 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 231' ' ' VAL . . . . . 0.442 HG13 ' HB2' ' A' ' 223' ' ' GLN . 14.6 p -119.61 156.55 22.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.545 ' CD1' ' O ' ' A' ' 221' ' ' TYR . 15.1 t80 -120.87 98.48 6.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.09 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 16.3 t -103.85 106.28 52.01 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 234' ' ' PRO . . . . . 0.551 ' HA ' ' CD2' ' A' ' 221' ' ' TYR . 17.9 Cg_endo -75.08 179.92 5.64 Favored 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.564 1.823 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -61.1 142.71 56.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -179.76 -69.51 0.07 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.381 1.051 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.3 149.09 47.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 110.001 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -141.85 162.65 34.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.218 179.952 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.443 ' C ' HG13 ' A' ' 137' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.727 HG23 ' N ' ' A' ' 138' ' ' ILE . 1.2 m 49.59 -176.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.584 1.177 . . . . 0.0 109.339 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.727 ' N ' HG23 ' A' ' 137' ' ' VAL . 8.7 mm -140.01 114.38 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.575 1.172 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.495 ' CB ' ' HA ' ' A' ' 144' ' ' LYS . . . -135.53 156.53 48.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.836 ' CZ ' ' CD1' ' A' ' 143' ' ' PHE . 12.2 p90 -159.24 118.17 2.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 111.096 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 74.11 -93.31 0.77 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.046 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -125.48 1.76 7.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.836 ' CD1' ' CZ ' ' A' ' 140' ' ' PHE . 2.4 t80 -101.14 131.49 47.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.073 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.575 ' HD2' ' CE2' ' A' ' 153' ' ' PHE . 9.1 ptpt -131.32 140.55 49.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 109.232 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.815 HD21 HD11 ' A' ' 147' ' ' LEU . 0.2 OUTLIER -144.35 141.46 29.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 150' ' ' ARG . 0.9 OUTLIER -144.01 114.46 7.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.815 HD11 HD21 ' A' ' 145' ' ' LEU . 0.5 OUTLIER -72.8 -47.63 44.89 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -51.34 -26.68 14.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 110.941 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 35.2 m -110.44 -14.11 14.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.399 0.705 . . . . 0.0 110.4 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 146' ' ' ASN . 29.5 ttp180 54.03 49.69 18.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 0.0 110.25 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -149.13 120.31 7.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.0 110.269 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.628 ' SD ' HD11 ' A' ' 161' ' ' LEU . 16.1 ptm -136.44 140.58 43.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.575 ' CE2' ' HD2' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -135.9 173.45 11.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.392 1.058 . . . . 0.0 110.969 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -154.52 102.78 2.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.072 . . . . 0.0 110.289 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 59.35 69.12 0.74 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 53.23 63.43 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 20.7 mt-10 -153.98 79.34 5.19 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.585 1.178 . . . . 0.0 110.301 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 158' ' ' PRO . . . . . 0.455 ' HA ' ' CD1' ' A' ' 153' ' ' PHE . 18.2 Cg_endo -75.07 126.97 10.27 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.554 1.818 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 159' ' ' MET . . . . . 0.415 ' HG3' ' O ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -154.39 135.88 9.06 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.5 1.125 . . . . 0.0 110.926 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 160' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 159' ' ' MET . 18.2 Cg_endo -74.91 -165.95 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.41 1.742 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 161' ' ' LEU . . . . . 0.628 HD11 ' SD ' ' A' ' 152' ' ' MET . 12.1 mt -140.78 152.92 45.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 24.6 m -79.71 166.5 21.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 2.2 m -59.71 -58.05 10.27 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -66.03 -30.53 77.15 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.565 1.166 . . . . 0.0 110.974 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 165' ' ' GLU . . . . . 0.669 ' HB3' HD21 ' A' ' 208' ' ' LEU . 96.0 mt-10 -67.79 -73.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 110.335 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 166' ' ' PHE . . . . . 0.575 ' C ' ' CD1' ' A' ' 166' ' ' PHE . 0.3 OUTLIER -39.65 -35.02 0.28 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.617 1.198 . . . . 0.0 110.993 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -70.57 -58.82 3.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.566 HG13 ' CD2' ' A' ' 185' ' ' LEU . 9.5 t -54.28 -39.55 44.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 0.558 HD22 HD11 ' A' ' 145' ' ' LEU . 0.7 OUTLIER -69.91 -22.34 63.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 170' ' ' LYS . . . . . 0.6 ' HG3' HD23 ' A' ' 147' ' ' LEU . 10.9 tmtt? -77.1 -52.5 9.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.409 1.068 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.582 ' HB2' HD22 ' A' ' 188' ' ' LEU . . . -58.83 -32.48 69.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.593 HD22 ' HB2' ' A' ' 232' ' ' PHE . 0.9 OUTLIER -74.95 -52.1 12.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.534 HG12 ' HA ' ' A' ' 170' ' ' LYS . 0.8 OUTLIER -70.9 -7.87 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.252 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 174' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 170' ' ' LYS . 35.4 t -73.06 -14.63 61.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.96 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -152.74 80.12 5.68 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 109.613 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 58.24 4.84 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.458 1.768 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 15.4 ttt85 176.88 -41.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.614 1.196 . . . . 0.0 110.259 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -93.27 137.4 23.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.348 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 179' ' ' PRO . . . . . 0.563 ' O ' HD22 ' A' ' 180' ' ' LEU . 18.3 Cg_endo -75.01 159.98 40.67 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.525 1.803 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.594 HD12 ' HB3' ' A' ' 184' ' ' LYS . 1.2 mm? -136.89 139.3 41.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 181' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 184' ' ' LYS . 0.3 OUTLIER -79.37 140.11 37.56 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.512 1.133 . . . . 0.0 109.949 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 182' ' ' ARG . . . . . 0.713 ' HG2' HD12 ' A' ' 201' ' ' ILE . 5.6 tmm_? -40.18 -38.83 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.399 1.062 . . . . 0.0 110.21 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.59 -49.79 61.44 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.58 1.175 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 184' ' ' LYS . . . . . 0.594 ' HB3' HD12 ' A' ' 180' ' ' LEU . 5.2 mmtp -48.97 -41.03 32.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.354 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.566 ' CD2' HG13 ' A' ' 168' ' ' VAL . 0.5 OUTLIER -54.33 -63.3 1.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 186' ' ' MET . . . . . 0.483 ' HB2' ' HB1' ' A' ' 196' ' ' ALA . 6.8 ptp -67.23 -9.85 44.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -79.24 -37.81 37.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 188' ' ' LEU . . . . . 0.582 HD22 ' HB2' ' A' ' 171' ' ' ALA . 0.7 OUTLIER -79.51 -41.32 27.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 109.348 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -56.1 -62.15 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 40.98 85.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.611 1.195 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -134.85 153.28 21.03 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.566 1.166 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 4.6 ttm105 -109.21 60.87 0.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 0.796 . . . . 0.0 110.256 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -176.32 57.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 194' ' ' TYR . . . . . . . . . . . . . 16.9 t80 41.42 62.33 1.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 46.6 t -121.55 -43.79 2.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.988 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 196' ' ' ALA . . . . . 0.483 ' HB1' ' HB2' ' A' ' 186' ' ' MET . . . -86.27 48.49 1.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.354 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 1.2 ttt -171.55 -56.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 38.96 35.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 71.78 59.71 0.15 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 110.252 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.29 149.39 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.409 1.068 . . . . 0.0 109.993 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.713 HD12 ' HG2' ' A' ' 182' ' ' ARG . 6.0 mt -85.0 -47.41 17.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 202' ' ' ASP . . . . . 0.501 ' CA ' ' OH ' ' A' ' 230' ' ' TYR . 0.8 OUTLIER -47.27 -28.84 2.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.221 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 90.7 t -80.11 -56.03 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 0.0 109.378 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 204' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 207' ' ' ARG . 3.9 tp60 -57.07 -50.05 73.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.216 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.694 HG12 HG22 ' A' ' 201' ' ' ILE . 14.5 mm -43.19 -52.07 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.302 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 7.6 t -53.61 -37.8 63.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.045 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 207' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 204' ' ' GLN . 2.4 mmp_? -77.43 -36.23 53.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.355 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 208' ' ' LEU . . . . . 0.669 HD21 ' HB3' ' A' ' 165' ' ' GLU . 25.4 mt -69.14 -27.56 65.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 209' ' ' ARG . . . . . 0.636 ' HD2' HG22 ' A' ' 205' ' ' ILE . 2.8 mtt180 -68.2 -53.44 24.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.076 . . . . 0.0 110.353 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.15 -18.58 65.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 3.3 mtp -80.2 -52.92 7.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 212' ' ' VAL . . . . . 0.74 HG23 ' HG2' ' A' ' 213' ' ' GLU . 34.1 m -71.45 -28.37 31.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.74 ' HG2' HG23 ' A' ' 212' ' ' VAL . 2.5 mm-40 -119.79 -147.16 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.163 . . . . 0.0 110.369 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 214' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 215' ' ' ASP . 0.0 OUTLIER -160.41 -44.35 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.372 1.045 . . . . 0.0 110.279 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 215' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 214' ' ' GLU . 0.5 OUTLIER -39.83 101.58 0.24 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 55.51 3.96 Favored 'Trans proline' 0 C--N 1.358 1.073 0 O-C-N 124.517 1.798 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -147.39 -49.48 0.18 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 218' ' ' HIS . . . . . 0.476 ' CG ' ' HD2' ' A' ' 219' ' ' PRO . 13.3 t60 -171.5 141.62 1.31 Allowed Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.599 1.187 . . . . 0.0 109.593 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 219' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 218' ' ' HIS . 18.3 Cg_endo -74.94 -159.57 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.429 1.752 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -137.13 -55.91 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.57 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 55.0 m-85 -89.66 21.56 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 222' ' ' ILE . . . . . . . . . . . . . 16.2 mm -140.21 110.61 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.41 1.069 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -119.92 101.2 7.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 98.9 m -79.76 121.27 25.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 110.492 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 225' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 229' ' ' GLY . 17.9 m -126.34 120.39 56.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -64.92 -43.97 91.05 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -48.26 -27.09 5.24 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.55 1.156 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.82 -81.7 0.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 0.79 . . . . 0.0 109.258 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 229' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 177.25 -77.94 0.07 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 230' ' ' TYR . . . . . 0.561 ' CE2' HG13 ' A' ' 205' ' ' ILE . 57.1 m-85 -156.3 124.57 5.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.744 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 231' ' ' VAL . . . . . 0.544 HG23 ' HA ' ' A' ' 179' ' ' PRO . 2.7 p -119.52 153.29 22.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.565 1.166 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.593 ' HB2' HD22 ' A' ' 172' ' ' LEU . 8.7 t80 -119.9 97.04 5.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 57.9 t -94.14 111.79 54.74 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 234' ' ' PRO . . . . . 0.563 ' HA ' ' CD2' ' A' ' 221' ' ' TYR . 18.5 Cg_endo -74.95 111.24 3.28 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 111.034 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 9.8 t0 58.79 158.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -45.46 150.87 1.11 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.112 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 16.7 p -179.17 -59.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 110.005 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.93 85.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.902 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' A' ' 137' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.676 HG23 ' N ' ' A' ' 138' ' ' ILE . 0.8 OUTLIER 43.78 -168.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.359 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ILE . . . . . 0.676 ' N ' HG23 ' A' ' 137' ' ' VAL . 5.3 mp -145.72 107.85 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ALA . . . . . 0.585 ' C ' ' CD1' ' A' ' 140' ' ' PHE . . . -125.05 165.81 17.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 109.366 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' PHE . . . . . 0.619 ' CD1' ' N ' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -144.59 79.53 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.986 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 60.08 -79.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.492 1.12 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 140' ' ' PHE . 0.4 OUTLIER -85.83 -42.81 13.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 0.744 . . . . 0.0 109.35 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.421 ' HB2' ' HB2' ' A' ' 140' ' ' PHE . 85.4 m-85 -69.17 162.68 26.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' LYS . . . . . 0.571 ' HB3' ' CE2' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -162.23 102.86 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 145' ' ' LEU . . . . . 0.626 HD12 ' H ' ' A' ' 146' ' ' ASN . 0.8 OUTLIER -119.7 156.85 29.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ASN . . . . . 0.661 ' CG ' HG12 ' A' ' 137' ' ' VAL . 46.9 t-20 -156.54 119.7 4.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' LEU . . . . . 0.709 HD21 HD22 ' A' ' 169' ' ' LEU . 3.4 mt -79.5 -24.63 42.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -72.12 -30.13 65.71 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.391 1.057 . . . . 0.0 111.006 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' THR . . . . . 0.434 HG22 ' HB2' ' A' ' 151' ' ' GLU . 2.3 m -110.04 -11.31 14.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 110.443 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 52.72 50.67 17.6 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.434 ' HB2' HG22 ' A' ' 149' ' ' THR . 3.2 mt-10 -144.92 116.91 8.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' MET . . . . . 0.409 ' HA ' ' O ' ' A' ' 144' ' ' LYS . 5.7 ttt -119.73 144.96 46.96 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.582 1.177 . . . . 0.0 110.943 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 144' ' ' LYS . 0.9 OUTLIER -159.45 155.46 26.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 154' ' ' ARG . . . . . 0.55 ' O ' ' CB ' ' A' ' 155' ' ' GLU . 0.0 OUTLIER -120.07 98.98 6.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.599 1.187 . . . . 0.0 110.271 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.55 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 1.1 tt0 89.62 -24.24 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.539 1.149 . . . . 0.0 110.324 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 156' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 155' ' ' GLU . 0.6 OUTLIER 157.16 -32.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 157' ' ' GLU . . . . . 0.405 ' O ' ' CB ' ' A' ' 153' ' ' PHE . 1.6 mp0 -48.5 105.31 0.48 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.414 1.071 . . . . 0.0 110.323 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 118.36 5.25 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.525 1.803 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' MET . . . . . 0.404 ' HA ' ' HD3' ' A' ' 160' ' ' PRO . 0.0 OUTLIER -144.38 135.67 12.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 160' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 159' ' ' MET . 18.2 Cg_endo -74.94 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.594 1.839 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.76 122.97 4.93 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 88.8 m -39.16 146.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.432 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 13.2 m -50.84 -59.03 4.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.408 1.067 . . . . 0.0 109.973 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -46.38 -46.21 16.68 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.415 1.072 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -56.51 -47.6 78.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 0.797 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 166' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -59.67 -59.86 4.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.17 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 167' ' ' ALA . . . . . 0.566 ' HB1' ' HB1' ' A' ' 189' ' ' ALA . . . -52.17 -59.16 4.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 168' ' ' VAL . . . . . 0.615 HG22 HD11 ' A' ' 201' ' ' ILE . 20.5 t -48.4 -55.51 3.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 124.506 1.129 . . . . 0.0 109.243 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 169' ' ' LEU . . . . . 1.044 HD12 HD22 ' A' ' 208' ' ' LEU . 3.6 tt -54.36 -61.02 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 170' ' ' LYS . . . . . 0.55 ' HG3' HD13 ' A' ' 147' ' ' LEU . 0.5 OUTLIER -41.04 -39.97 1.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 171' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 168' ' ' VAL . . . -60.57 -55.88 28.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.565 1.165 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 172' ' ' LEU . . . . . 0.484 ' CD2' ' C ' ' A' ' 231' ' ' VAL . 0.4 OUTLIER -60.43 -41.26 93.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 173' ' ' VAL . . . . . 0.671 HG11 HD11 ' A' ' 138' ' ' ILE . 41.1 t -79.98 0.22 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 174' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 170' ' ' LYS . 3.2 m -102.4 -27.27 12.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.94 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -115.05 90.53 23.67 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.632 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 132.21 15.17 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.487 1.782 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 177' ' ' ARG . . . . . 0.439 ' NH1' ' CB ' ' A' ' 238' ' ' LYS . 1.3 mtt180 45.77 54.85 7.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.173 . . . . 0.0 110.242 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 178' ' ' GLU . . . . . 0.503 ' C ' HG23 ' A' ' 231' ' ' VAL . 6.7 tt0 -153.35 98.75 2.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 179' ' ' PRO . . . . . 0.573 ' HB2' HD22 ' A' ' 228' ' ' LEU . 18.3 Cg_endo -74.96 131.0 13.84 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.516 1.798 . . . . 0.0 111.07 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 180' ' ' LEU . . . . . 0.489 ' CD1' ' O ' ' A' ' 178' ' ' GLU . 1.2 mp -131.63 152.55 50.74 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 181' ' ' SER . . . . . 0.507 ' O ' HD12 ' A' ' 185' ' ' LEU . 8.9 m -57.69 159.27 5.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.093 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -32.72 59.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 183' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 187' ' ' ASN . 0.1 OUTLIER -69.52 -60.1 2.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.223 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt -40.99 -36.45 0.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 185' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 181' ' ' SER . 2.0 mp -58.91 -65.31 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 10.2 ptm -67.68 -15.06 63.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 111.051 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 187' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 183' ' ' ASP . 1.2 t30 -79.98 -61.81 1.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 56.7 tp -43.26 -47.94 6.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 189' ' ' ALA . . . . . 0.566 ' HB1' ' HB1' ' A' ' 167' ' ' ALA . . . -53.71 -64.12 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 38.69 74.62 0.09 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 110.381 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -106.69 150.96 16.89 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.579 1.174 . . . . 0.0 110.961 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.31 83.03 6.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.582 0.813 . . . . 0.0 110.207 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 179.13 176.19 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 194' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -70.61 74.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 111.04 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 1.8 t -131.66 -60.42 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.028 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -51.95 -53.02 46.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.402 1.064 . . . . 0.0 109.275 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 16.5 ttm -38.95 -52.38 1.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 111.058 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -49.19 -54.9 14.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.213 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 46.79 95.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.229 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.19 43.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ILE . . . . . 0.615 HD11 HG22 ' A' ' 168' ' ' VAL . 1.9 mm -47.97 -45.6 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.385 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -47.27 -57.6 5.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 203' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 207' ' ' ARG . 60.1 t -64.05 -54.91 25.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.386 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 204' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 208' ' ' LEU . 1.7 mp0 -46.46 -36.47 6.65 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.535 1.147 . . . . 0.0 110.346 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 205' ' ' ILE . . . . . 0.412 HD12 ' CD1' ' A' ' 230' ' ' TYR . 4.9 mm -62.34 -63.75 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.248 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 206' ' ' SER . . . . . 0.453 ' HA ' ' CG ' ' A' ' 209' ' ' ARG . 19.4 t -60.88 -28.02 68.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.984 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 207' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 203' ' ' VAL . 16.8 tpp180 -78.74 -27.01 44.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 110.258 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 208' ' ' LEU . . . . . 1.044 HD22 HD12 ' A' ' 169' ' ' LEU . 12.3 mt -80.03 -55.72 4.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 209' ' ' ARG . . . . . 0.672 ' HB3' HG21 ' A' ' 222' ' ' ILE . 0.0 OUTLIER -55.26 -29.36 57.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.33 -45.98 65.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.79 -51.43 69.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.08 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 212' ' ' VAL . . . . . 0.551 ' HB ' ' CZ ' ' A' ' 140' ' ' PHE . 29.0 m -74.83 -34.04 32.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.376 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 213' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 209' ' ' ARG . 58.0 mm-40 -141.49 90.72 2.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 214' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 216' ' ' PRO . 5.6 tp10 -48.94 -36.92 18.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.261 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 215' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 214' ' ' GLU . 0.2 OUTLIER -38.88 99.2 0.19 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 216' ' ' PRO . . . . . 0.515 ' HA ' ' NH1' ' A' ' 209' ' ' ARG . 18.4 Cg_endo -75.02 1.73 7.42 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.547 1.814 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -79.27 -68.87 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -159.73 121.68 1.84 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.633 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -159.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.438 1.757 . . . . 0.0 111.049 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -141.41 -45.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.239 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 221' ' ' TYR . . . . . 0.599 ' O ' ' CE1' ' A' ' 232' ' ' PHE . 24.3 m-85 -86.94 18.5 3.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.182 . . . . 0.0 111.003 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 222' ' ' ILE . . . . . 0.672 HG21 ' HB3' ' A' ' 209' ' ' ARG . 1.7 mt -152.17 117.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.572 1.17 . . . . 0.0 109.368 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -119.83 102.14 8.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 224' ' ' THR . . . . . 0.732 HG23 ' CE1' ' A' ' 230' ' ' TYR . 31.4 m -83.12 122.97 29.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 110.411 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 225' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 229' ' ' GLY . 0.0 OUTLIER -129.78 106.82 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.075 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -37.51 73.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 108.018 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -56.68 -23.87 45.71 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 228' ' ' LEU . . . . . 0.573 HD22 ' HB2' ' A' ' 179' ' ' PRO . 0.2 OUTLIER -124.23 -79.94 0.62 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 0.788 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 229' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 178.59 -86.01 0.07 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.426 1.079 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 230' ' ' TYR . . . . . 0.732 ' CE1' HG23 ' A' ' 224' ' ' THR . 79.0 m-85 -160.07 124.02 3.68 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 0.755 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 231' ' ' VAL . . . . . 0.514 HG22 ' H ' ' A' ' 232' ' ' PHE . 9.9 p -119.52 170.55 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 232' ' ' PHE . . . . . 0.599 ' CE1' ' O ' ' A' ' 221' ' ' TYR . 14.1 t80 -131.37 104.12 6.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 233' ' ' VAL . . . . . 0.426 HG22 ' HG2' ' A' ' 177' ' ' ARG . 83.1 t -115.27 90.09 23.27 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 234' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 236' ' ' GLY . 18.4 Cg_endo -74.9 125.37 9.33 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.63 -64.86 0.33 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.612 1.195 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 236' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 234' ' ' PRO . . . 164.35 -61.67 0.25 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 77.53 -69.48 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 110.039 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 238' ' ' LYS . . . . . 0.439 ' CB ' ' NH1' ' A' ' 177' ' ' ARG . 5.5 mmtt -90.9 145.32 24.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.413 1.071 . . . . 0.0 109.333 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.483 HG12 ' OD1' ' A' ' 146' ' ' ASN . 2.1 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.49 HG22 ' CE1' ' A' ' 140' ' ' PHE . 5.3 mp -131.34 107.75 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.404 1.065 . . . . 0.0 109.318 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.44 149.67 41.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.573 ' CD1' ' HB2' ' A' ' 143' ' ' PHE . 3.4 m-85 -120.7 -179.78 4.1 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -53.04 -28.02 31.92 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -134.71 -47.56 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 0.759 . . . . 0.0 109.354 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.573 ' HB2' ' CD1' ' A' ' 140' ' ' PHE . 10.9 m-85 -69.8 154.61 41.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.482 ' HB2' ' CD2' ' A' ' 153' ' ' PHE . 17.5 mttt -142.69 131.72 23.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.629 HD11 HD22 ' A' ' 169' ' ' LEU . 1.8 tt -142.56 151.85 41.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.483 ' OD1' HG12 ' A' ' 137' ' ' VAL . 22.6 t-20 -160.04 119.85 2.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 1.049 HD22 ' CE1' ' A' ' 166' ' ' PHE . 63.7 mt -78.25 -43.85 27.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 146' ' ' ASN . . . -51.81 -30.13 28.13 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . 0.426 ' CB ' ' ND2' ' A' ' 146' ' ' ASN . 36.1 m -115.16 -7.2 12.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 0.741 . . . . 0.0 110.421 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 146' ' ' ASN . 0.0 OUTLIER 47.08 53.02 11.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 0.0 110.328 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -139.34 114.84 9.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.417 1.073 . . . . 0.0 110.338 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.42 ' HB3' ' CD1' ' A' ' 161' ' ' LEU . 12.0 ttt -119.71 142.23 48.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.482 ' CD2' ' HB2' ' A' ' 144' ' ' LYS . 0.4 OUTLIER -157.59 157.39 33.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.42 1.075 . . . . 0.0 111.054 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . 0.538 ' HG3' ' CD1' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -123.87 99.69 6.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . 0.524 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 0.6 OUTLIER 88.93 -23.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 155' ' ' GLU . 1.8 t0 156.71 -31.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 153' ' ' PHE . 0.6 OUTLIER -49.55 106.0 0.58 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 122.79 7.41 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.519 1.799 . . . . 0.0 111.061 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.22 122.45 25.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 139.49 24.49 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.544 1.812 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.42 ' CD1' ' HB3' ' A' ' 152' ' ' MET . 10.7 mt -119.94 95.14 4.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 3.5 t -54.07 164.93 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.45 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 167' ' ' ALA . 3.9 m -50.12 -54.03 23.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.651 1.219 . . . . 0.0 109.977 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.511 ' O ' HG23 ' A' ' 168' ' ' VAL . . . -51.61 -55.96 17.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.568 1.168 . . . . 0.0 110.955 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -58.35 -65.99 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 0.712 . . . . 0.0 110.232 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 1.049 ' CE1' HD22 ' A' ' 147' ' ' LEU . 0.2 OUTLIER -47.96 -51.43 23.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 163' ' ' SER . . . -55.68 -46.08 77.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.542 ' O ' ' HB3' ' A' ' 171' ' ' ALA . 3.2 t -56.56 -62.85 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.629 HD22 HD11 ' A' ' 145' ' ' LEU . 0.5 OUTLIER -54.18 -55.18 30.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . 0.808 ' HG3' HD13 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -41.14 -44.62 2.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 168' ' ' VAL . . . -53.36 -49.0 68.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.47 HD22 ' HB2' ' A' ' 232' ' ' PHE . 0.8 OUTLIER -65.48 -38.06 88.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 22.4 t -76.91 -6.73 9.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 109.217 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . 0.457 ' CB ' ' HZ1' ' A' ' 170' ' ' LYS . 0.3 OUTLIER -88.52 -25.56 22.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.995 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -138.85 91.47 11.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.649 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 127.72 10.88 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.556 1.819 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 73.81 31.34 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.424 ' C ' HG23 ' A' ' 231' ' ' VAL . 0.1 OUTLIER -122.39 99.93 42.33 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.181 . . . . 0.0 110.277 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 179' ' ' PRO . . . . . 0.584 ' HB2' HD12 ' A' ' 228' ' ' LEU . 18.5 Cg_endo -74.88 120.0 5.92 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.49 1.784 . . . . 0.0 111.07 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.3 mt -127.52 148.51 50.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 181' ' ' SER . . . . . 0.747 ' O ' HD23 ' A' ' 185' ' ' LEU . 0.2 OUTLIER -61.26 163.62 6.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.042 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -27.38 68.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.02 -53.64 16.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.31 -25.93 64.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.747 HD23 ' O ' ' A' ' 181' ' ' SER . 2.5 mm? -58.44 -69.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 4.4 ptm -64.79 -28.64 69.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.15 -59.82 4.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.243 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.7 tt . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.933 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 200' ' ' SER . . . . . 0.501 ' OG ' ' CG1' ' A' ' 203' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.567 ' CG2' ' CE2' ' A' ' 230' ' ' TYR . 0.3 OUTLIER -135.47 -46.62 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.36 -40.67 96.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 203' ' ' VAL . . . . . 0.501 ' CG1' ' OG ' ' A' ' 200' ' ' SER . 6.3 p -80.33 -33.41 14.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 204' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.74 -52.58 16.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.564 HG13 ' CE1' ' A' ' 230' ' ' TYR . 5.7 mm -53.33 -57.41 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 4.0 p -43.37 -48.73 7.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.453 1.096 . . . . 0.0 110.06 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -66.46 -32.33 73.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.343 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 208' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 205' ' ' ILE . 13.6 mt -73.51 -36.06 65.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 209' ' ' ARG . . . . . 0.723 ' HG3' HG21 ' A' ' 222' ' ' ILE . 5.2 mtp-105 -68.44 -22.07 64.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -77.71 -58.68 3.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 211' ' ' MET . . . . . 0.664 ' HG3' HG13 ' A' ' 212' ' ' VAL . 8.5 ptp -49.48 -40.8 38.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 212' ' ' VAL . . . . . 0.664 HG13 ' HG3' ' A' ' 211' ' ' MET . 12.4 m -79.1 -36.09 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.596 1.185 . . . . 0.0 109.218 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.49 ' HG2' HG23 ' A' ' 212' ' ' VAL . 5.2 mm-40 -131.54 103.5 6.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.26 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.254 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 219' ' ' PRO . . . . . 0.489 ' HA ' ' CG ' ' A' ' 213' ' ' GLU . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.862 0 N-CA-C 111.03 -0.411 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 220' ' ' ARG . . . . . 0.46 ' HD3' ' CE1' ' A' ' 221' ' ' TYR . 22.3 ttt85 -155.69 -51.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.576 1.173 . . . . 0.0 110.2 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.46 ' CE1' ' HD3' ' A' ' 220' ' ' ARG . 78.0 m-85 -101.73 19.37 18.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.083 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 222' ' ' ILE . . . . . 0.723 HG21 ' HG3' ' A' ' 209' ' ' ARG . 27.2 mm -143.65 112.93 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 223' ' ' GLN . . . . . 0.821 ' O ' HG12 ' A' ' 231' ' ' VAL . 5.0 mt-30 -119.89 89.5 3.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 10.3 m -73.21 123.12 23.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.439 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 225' ' ' VAL . . . . . 0.643 HG12 ' H ' ' A' ' 228' ' ' LEU . 40.9 t -117.72 119.53 61.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.236 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 24.2 m95 -62.59 -47.71 82.6 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -56.67 -48.0 80.73 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.595 1.185 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . 0.643 ' H ' HG12 ' A' ' 225' ' ' VAL . 2.7 mm? -87.07 -81.58 0.23 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.556 0.797 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 229' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 169.83 -80.55 0.09 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.417 1.073 . . . . 0.0 110.94 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 230' ' ' TYR . . . . . 0.689 ' HB2' HD21 ' A' ' 185' ' ' LEU . 98.0 m-85 -152.08 118.73 5.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 0.809 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 231' ' ' VAL . . . . . 0.821 HG12 ' O ' ' A' ' 223' ' ' GLN . 4.8 p -119.84 151.7 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.47 ' HB2' HD22 ' A' ' 172' ' ' LEU . 32.0 t80 -120.11 98.37 6.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 53.1 t -109.51 103.06 51.94 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.544 1.813 . . . . 0.0 111.006 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.617 HG23 ' N ' ' A' ' 138' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.623 ' HB ' HD22 ' A' ' 145' ' ' LEU . 4.4 mp -142.73 115.94 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.666 ' HB2' ' HG2' ' A' ' 144' ' ' LYS . . . -124.66 157.22 36.09 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.544 ' CD2' ' HB3' ' A' ' 143' ' ' PHE . 3.4 m-85 -122.74 -179.22 4.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -36.26 -64.96 0.54 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.573 1.171 . . . . 0.0 111.043 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.14 38.33 3.99 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.4 0.706 . . . . 0.0 109.248 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 154' ' ' ARG . 1.8 t80 -139.63 166.26 25.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.666 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 0.1 OUTLIER -157.96 120.25 3.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.623 HD22 ' HB ' ' A' ' 138' ' ' ILE . 0.7 OUTLIER -133.32 156.05 48.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.616 1.197 . . . . 0.0 109.302 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.497 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 49.3 t-20 -157.9 115.55 3.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.376 1.047 . . . . 0.0 109.312 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.587 HD13 ' CG ' ' A' ' 170' ' ' LYS . 10.0 mt -78.51 -38.19 41.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.435 1.084 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -61.68 -20.02 58.96 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.623 1.202 . . . . 0.0 111.043 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 18.0 m -114.03 -30.27 6.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.431 0.724 . . . . 0.0 110.404 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.448 ' HG3' ' CD2' ' A' ' 166' ' ' PHE . 19.5 ttm180 71.47 43.24 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -147.13 114.46 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.738 ' SD ' HD11 ' A' ' 161' ' ' LEU . 5.0 ptm -129.21 152.64 48.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.572 1.17 . . . . 0.0 110.963 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.507 ' CD1' ' C ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -139.69 176.39 8.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.158 . . . . 0.0 110.966 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . 0.565 ' HB2' ' CE2' ' A' ' 143' ' ' PHE . 13.4 ttt85 -160.06 120.01 2.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.228 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 47.71 56.3 7.31 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.442 1.088 . . . . 0.0 110.285 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.3 49.06 7.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.27 89.02 4.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 0.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.493 ' HB3' ' CD1' ' A' ' 153' ' ' PHE . 18.2 Cg_endo -75.03 150.43 38.01 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.32 136.44 8.11 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.637 1.211 . . . . 0.0 110.986 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 170.76 19.67 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.477 1.777 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.738 HD11 ' SD ' ' A' ' 152' ' ' MET . 25.8 mt -127.46 129.7 47.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.364 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 3.0 p -77.76 168.49 19.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.405 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 167' ' ' ALA . 1.4 p -55.6 -56.59 18.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.946 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -51.87 -53.29 30.58 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.844 ' HG2' HD21 ' A' ' 208' ' ' LEU . 43.0 mt-10 -62.78 -71.33 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.408 0.711 . . . . 0.0 110.319 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.56 ' CZ ' ' HE2' ' A' ' 170' ' ' LYS . 30.5 t80 -41.13 -45.08 2.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 163' ' ' SER . . . -64.73 -58.59 5.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.123 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 2.6 t -49.69 -48.25 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.571 ' CD2' HD11 ' A' ' 145' ' ' LEU . 0.4 OUTLIER -64.71 -33.84 76.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . 0.587 ' CG ' HD13 ' A' ' 147' ' ' LEU . 5.5 mttm -60.75 -39.76 89.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -70.31 -44.27 68.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.575 1.172 . . . . 0.0 109.239 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.406 ' CD2' ' HB2' ' A' ' 232' ' ' PHE . 1.0 OUTLIER -64.58 -44.67 89.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.127 . . . . 0.0 109.244 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.564 HG11 HD13 ' A' ' 138' ' ' ILE . 80.1 t -73.85 -30.45 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 170' ' ' LYS . 2.1 m -55.41 -36.98 67.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.89 90.55 50.56 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.603 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 120.51 6.1 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.44 1.758 . . . . 0.0 110.959 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 72.67 50.13 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 179' ' ' PRO . 0.9 OUTLIER -159.44 131.21 4.09 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 179' ' ' PRO . . . . . 0.69 ' HB2' HD12 ' A' ' 228' ' ' LEU . 18.4 Cg_endo -75.06 164.25 33.62 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.563 1.823 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.729 HD21 HD13 ' A' ' 188' ' ' LEU . 0.4 OUTLIER -162.31 112.44 1.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.85 142.65 8.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.088 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . 0.44 ' HG2' ' CD1' ' A' ' 201' ' ' ILE . 5.0 ttm180 -41.64 -31.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.374 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.43 -50.33 10.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -57.76 -44.3 86.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.545 HD13 ' HB2' ' A' ' 230' ' ' TYR . 2.1 tt -57.65 -61.98 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 6.2 ttt -42.87 -45.5 4.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.363 1.039 . . . . 0.0 111.028 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -69.03 -53.63 19.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.729 HD13 HD21 ' A' ' 180' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.359 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.469 HG21 HD22 ' A' ' 185' ' ' LEU . 3.3 mt -76.14 -57.68 5.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 202' ' ' ASP . . . . . 0.439 ' N ' ' OH ' ' A' ' 230' ' ' TYR . 0.9 OUTLIER -40.0 -41.91 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 95.7 t -62.04 -53.06 52.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.356 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 204' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 208' ' ' LEU . 21.8 mm-40 -62.49 -43.57 98.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.361 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.503 HG21 ' OG1' ' A' ' 224' ' ' THR . 21.6 mm -43.98 -47.04 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 6.3 t -62.1 -58.97 5.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.606 1.191 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 14.6 mtt-85 -54.12 -29.95 46.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 208' ' ' LEU . . . . . 0.844 HD21 ' HG2' ' A' ' 165' ' ' GLU . 3.6 mm? -77.87 -40.68 39.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 209' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 213' ' ' GLU . 2.7 ttm180 -58.37 -52.32 66.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.19 -25.62 67.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.245 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -56.25 10.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 111.035 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 212' ' ' VAL . . . . . 0.77 HG23 ' HG2' ' A' ' 213' ' ' GLU . 15.8 m -80.33 -27.72 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.196 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.77 ' HG2' HG23 ' A' ' 212' ' ' VAL . 37.3 mm-40 -114.74 -147.73 0.42 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.502 1.126 . . . . 0.0 110.348 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.296 179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 219' ' ' PRO . . . . . 0.447 ' O ' ' NH1' ' A' ' 220' ' ' ARG . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.847 0 N-CA-C 111.021 -0.415 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 220' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 219' ' ' PRO . 0.1 OUTLIER 163.56 -45.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.599 ' O ' ' CE2' ' A' ' 232' ' ' PHE . 87.5 m-85 -90.73 20.37 4.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 222' ' ' ILE . . . . . . . . . . . . . 32.3 mm -147.99 110.72 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -124.7 119.88 30.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 224' ' ' THR . . . . . 0.529 HG23 ' CD1' ' A' ' 230' ' ' TYR . 97.1 m -109.68 114.55 28.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.588 1.18 . . . . 0.0 110.459 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 225' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 229' ' ' GLY . 24.0 t -111.15 134.98 51.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 9.2 m95 -75.32 -54.5 6.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 107.987 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -54.37 -27.67 41.16 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.496 1.122 . . . . 0.0 111.085 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . 0.69 HD12 ' HB2' ' A' ' 179' ' ' PRO . 1.3 mm? -105.63 -80.23 0.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.384 0.696 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 229' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 164.3 -86.08 0.1 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.47 1.106 . . . . 0.0 111.094 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 230' ' ' TYR . . . . . 0.545 ' HB2' HD13 ' A' ' 185' ' ' LEU . 48.4 m-85 -144.85 115.87 7.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 0.742 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 231' ' ' VAL . . . . . 0.472 HG22 HG23 ' A' ' 233' ' ' VAL . 0.2 OUTLIER -119.45 145.8 25.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 221' ' ' TYR . 10.0 t80 -121.44 98.21 5.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 233' ' ' VAL . . . . . 0.472 HG23 HG22 ' A' ' 231' ' ' VAL . 93.7 t -101.75 107.83 53.46 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.195 0 O-C-N 124.506 1.792 . . . . 0.0 111.009 179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.673 HG23 ' N ' ' A' ' 138' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.451 -0.387 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.673 ' N ' HG23 ' A' ' 137' ' ' VAL . 3.1 mp -145.91 118.02 2.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.572 1.17 . . . . 0.0 109.32 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.666 ' HB2' ' HG2' ' A' ' 144' ' ' LYS . . . -127.29 158.68 36.55 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 143' ' ' PHE . 2.5 m-85 -121.3 -179.0 3.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.135 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -36.19 -64.83 0.55 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.558 1.162 . . . . 0.0 111.044 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -121.5 37.68 4.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 0.747 . . . . 0.0 109.262 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.584 ' CZ ' HG12 ' A' ' 212' ' ' VAL . 2.4 t80 -137.29 170.9 15.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 110.967 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.666 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -158.72 132.3 7.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.349 179.877 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.597 HD11 ' CD1' ' A' ' 161' ' ' LEU . 5.1 tt -146.71 157.41 43.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.169 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.497 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 50.3 t-20 -159.03 126.73 4.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.581 HD23 ' HG3' ' A' ' 170' ' ' LYS . 2.2 mp -78.16 -50.97 10.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -52.32 -33.77 39.76 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . 0.432 HG22 ' HB2' ' A' ' 151' ' ' GLU . 4.0 m -101.57 -19.51 15.45 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.479 0.752 . . . . 0.0 110.426 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 146' ' ' ASN . 0.0 OUTLIER 52.53 50.95 17.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.231 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.432 ' HB2' HG22 ' A' ' 149' ' ' THR . 69.9 mt-10 -149.25 116.63 6.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.273 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.723 ' HG2' HD11 ' A' ' 161' ' ' LEU . 0.2 OUTLIER -123.7 152.83 41.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 111.008 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.559 ' CE2' ' HD2' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -135.66 174.73 10.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.975 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . 0.578 ' HB2' ' CE2' ' A' ' 143' ' ' PHE . 1.5 tmt_? -159.96 120.82 3.07 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.554 1.159 . . . . 0.0 110.267 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 49.47 54.03 11.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 59.89 59.48 2.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.46 93.0 1.12 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.517 ' HB3' ' CD1' ' A' ' 153' ' ' PHE . 18.5 Cg_endo -74.93 153.47 42.17 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.42 1.747 . . . . 0.0 111.047 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.92 135.05 6.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 111.064 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 156.86 43.12 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.546 1.814 . . . . 0.0 110.949 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.723 HD11 ' HG2' ' A' ' 152' ' ' MET . 65.7 mt -120.15 115.84 24.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 165' ' ' GLU . 2.0 p -46.56 142.1 3.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 10.5 m -43.54 -35.64 1.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.947 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -71.83 -38.86 60.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.599 1.187 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.705 ' HG2' HD21 ' A' ' 208' ' ' LEU . 0.0 OUTLIER -61.47 -71.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.44 0.73 . . . . 0.0 110.288 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 170' ' ' LYS . 0.3 OUTLIER -41.8 -38.31 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.964 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -58.13 -63.03 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.451 HG13 ' CD2' ' A' ' 185' ' ' LEU . 9.4 t -55.2 -58.75 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 172' ' ' LEU . 1.9 tt -48.59 -53.19 19.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . 0.581 ' HG3' HD23 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -45.67 -55.98 5.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -57.68 -31.67 66.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.597 HD11 ' HB3' ' A' ' 230' ' ' TYR . 5.2 tp -71.65 -48.93 44.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.179 . . . . 0.0 109.261 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.511 HG12 ' HA ' ' A' ' 170' ' ' LYS . 4.3 p -80.04 -0.33 3.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 170' ' ' LYS . 44.6 t -87.39 -36.09 17.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 110.069 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -130.26 79.38 72.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.58 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 176' ' ' PRO . . . . . 0.469 ' O ' ' CB ' ' A' ' 177' ' ' ARG . 18.4 Cg_endo -74.93 146.08 32.54 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.469 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 9.2 ttt180 81.51 -51.52 0.27 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.396 1.06 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -82.31 114.12 48.98 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 0.0 110.348 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 179' ' ' PRO . . . . . 0.572 ' HG2' HD22 ' A' ' 228' ' ' LEU . 18.1 Cg_endo -75.06 152.01 39.95 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.456 1.767 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.472 ' O ' HD12 ' A' ' 185' ' ' LEU . 18.8 mt -142.78 117.21 9.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 181' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 184' ' ' LYS . 52.6 p -45.11 142.83 1.78 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.14 . . . . 0.0 109.954 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . 0.712 ' HA ' HD13 ' A' ' 185' ' ' LEU . 0.0 OUTLIER -44.66 -26.12 0.35 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . 0.411 ' N ' ' C ' ' A' ' 181' ' ' SER . 1.1 m-20 -64.33 -43.84 93.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.369 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 184' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 181' ' ' SER . 0.0 OUTLIER -67.04 -35.17 79.3 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.712 HD13 ' HA ' ' A' ' 182' ' ' ARG . 0.7 OUTLIER -56.1 -67.01 0.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.102 . . . . 0.0 109.238 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 25.7 ptm -55.53 -33.57 63.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.433 1.083 . . . . 0.0 110.915 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.69 -49.97 71.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.419 0 O-C-N 124.31 1.006 . . . . 0.0 109.296 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 200' ' ' SER . . . . . 0.511 ' HB3' HG23 ' A' ' 203' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 185' ' ' LEU . 2.6 mt -58.22 -57.03 12.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 202' ' ' ASP . . . . . 0.444 ' OD2' ' CZ2' ' A' ' 226' ' ' TRP . 0.2 OUTLIER -44.05 -44.47 7.45 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.452 1.095 . . . . 0.0 109.359 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 203' ' ' VAL . . . . . 0.511 HG23 ' HB3' ' A' ' 200' ' ' SER . 82.3 t -62.66 -59.47 4.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 204' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 207' ' ' ARG . 5.4 mt-30 -52.91 -56.3 16.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.593 1.183 . . . . 0.0 110.356 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.539 HG22 ' HD2' ' A' ' 209' ' ' ARG . 20.7 mm -40.31 -38.96 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 3.2 t -66.22 -50.12 64.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.578 1.174 . . . . 0.0 109.946 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 207' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 204' ' ' GLN . 0.1 OUTLIER -60.73 -30.07 69.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.346 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 208' ' ' LEU . . . . . 0.794 ' O ' HG22 ' A' ' 212' ' ' VAL . 20.4 mt -79.99 -30.89 39.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 209' ' ' ARG . . . . . 0.539 ' HD2' HG22 ' A' ' 205' ' ' ILE . 0.0 OUTLIER -67.06 -55.82 12.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 21.2 ttt-85 -63.42 -35.03 79.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 0.0 110.35 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -60.43 3.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.59 1.181 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 212' ' ' VAL . . . . . 0.794 HG22 ' O ' ' A' ' 208' ' ' LEU . 35.5 m -71.83 -30.21 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.774 ' HG2' HG23 ' A' ' 212' ' ' VAL . 5.5 mm-40 -115.27 93.36 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.428 1.08 . . . . 0.0 110.315 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 219' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' A' ' 213' ' ' GLU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.856 0 N-CA-C 110.964 -0.437 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.12 -47.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.338 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.657 ' O ' HD13 ' A' ' 222' ' ' ILE . 20.8 m-85 -91.01 18.9 6.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 111.087 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 222' ' ' ILE . . . . . 0.657 HD13 ' O ' ' A' ' 221' ' ' TYR . 19.6 mm -143.65 112.02 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 223' ' ' GLN . . . . . 0.45 ' CB ' HG13 ' A' ' 231' ' ' VAL . 5.3 mm-40 -119.99 103.42 9.29 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 17.9 m -105.31 115.59 30.52 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.562 1.164 . . . . 0.0 110.419 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 225' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 229' ' ' GLY . 0.7 OUTLIER -121.82 105.55 16.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 226' ' ' TRP . . . . . 0.444 ' CZ2' ' OD2' ' A' ' 202' ' ' ASP . 68.0 m95 -50.44 -42.44 54.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 107.991 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -51.39 -20.46 5.23 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.478 1.111 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . 0.572 HD22 ' HG2' ' A' ' 179' ' ' PRO . 4.2 mt -128.94 -78.29 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 229' ' ' GLY . . . . . 0.496 ' C ' ' CD1' ' A' ' 230' ' ' TYR . . . 179.68 -110.81 0.29 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.117 . . . . 0.0 110.964 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 230' ' ' TYR . . . . . 0.602 ' HB2' HD11 ' A' ' 185' ' ' LEU . 9.6 m-85 -139.5 117.16 11.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.75 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 231' ' ' VAL . . . . . 0.453 HG21 ' O ' ' A' ' 177' ' ' ARG . 7.0 p -119.11 155.17 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.544 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 2.7 t80 -118.57 95.7 4.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.383 1.052 . . . . 0.0 110.977 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 45.2 t -112.43 97.65 40.8 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 234' ' ' PRO . . . . . 0.56 ' HB3' ' CD2' ' A' ' 221' ' ' TYR . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.563 1.823 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.824 ' C ' HD12 ' A' ' 138' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.824 HD12 ' C ' ' A' ' 137' ' ' VAL . 2.5 mp -136.92 113.45 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.01 154.1 33.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.56 ' CD1' ' HB2' ' A' ' 143' ' ' PHE . 5.0 m-85 -120.16 -179.4 3.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -60.02 -13.91 29.11 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.455 1.097 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -143.18 -48.09 0.31 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 0.768 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.56 ' HB2' ' CD1' ' A' ' 140' ' ' PHE . 24.9 m-85 -74.85 158.08 34.02 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.518 1.136 . . . . 0.0 111.043 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -145.12 113.21 6.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.616 HD12 ' SD ' ' A' ' 152' ' ' MET . 3.6 tt -119.74 149.27 42.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.231 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -160.37 121.91 3.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.926 HD13 ' HG3' ' A' ' 170' ' ' LYS . 6.7 mt -84.38 -42.02 16.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -58.25 -22.29 49.84 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 52.1 m -113.02 -12.81 13.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.771 . . . . 0.0 110.376 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 50.43 51.85 16.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.326 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 153' ' ' PHE . 1.5 mt-10 -146.88 115.83 6.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 0.0 110.361 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.616 ' SD ' HD12 ' A' ' 145' ' ' LEU . 3.5 ttt -119.93 145.62 46.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.664 ' CD1' ' N ' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -156.63 156.85 34.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' A' ' 154' ' ' ARG . 12.1 ptt85 -130.4 104.3 7.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.247 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . 0.509 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 0.6 OUTLIER 88.28 -31.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 155' ' ' GLU . 3.7 m-20 161.14 -28.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.2 113.36 7.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 139.47 24.46 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.522 1.801 . . . . 0.0 111.032 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . 0.471 ' CE ' ' SD ' ' A' ' 211' ' ' MET . 1.5 ptm -158.13 111.26 1.73 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . 0.619 ' O ' HD23 ' A' ' 161' ' ' LEU . 18.3 Cg_endo -74.95 -177.45 3.47 Favored 'Trans proline' 0 C--N 1.362 1.252 0 O-C-N 124.459 1.768 . . . . 0.0 111.038 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.794 HD22 HD22 ' A' ' 208' ' ' LEU . 89.5 mt -137.11 111.17 8.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -48.66 158.44 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 29.2 m -45.98 -54.88 7.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.052 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -54.65 -48.66 64.64 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.572 1.17 . . . . 0.0 110.995 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.49 ' HG2' HD21 ' A' ' 208' ' ' LEU . 5.5 mt-10 -61.95 -67.44 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 110.363 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 147' ' ' LEU . 2.9 t80 -42.63 -48.24 5.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -53.29 -63.41 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.601 ' O ' ' HB3' ' A' ' 171' ' ' ALA . 5.3 t -45.87 -55.65 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.545 HD11 ' CD1' ' A' ' 145' ' ' LEU . 8.2 tt -52.41 -57.45 9.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . 0.926 ' HG3' HD13 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -46.11 -35.5 5.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 168' ' ' VAL . . . -66.85 -50.41 62.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.518 HD22 ' HB2' ' A' ' 232' ' ' PHE . 0.3 OUTLIER -64.37 -41.35 96.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 56.0 t -77.33 -14.45 14.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 170' ' ' LYS . 1.1 m -77.74 -15.27 59.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.949 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.39 91.43 5.05 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.558 1.161 . . . . 0.0 109.528 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.89 148.88 36.44 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.564 1.823 . . . . 0.0 111.041 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 50.29 30.65 4.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.98 106.17 12.55 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 110.3 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 179' ' ' PRO . . . . . 0.439 ' HB2' HD12 ' A' ' 228' ' ' LEU . 18.3 Cg_endo -74.98 144.45 30.35 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.545 1.813 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 3.1 mt -137.69 163.7 30.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.377 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 181' ' ' SER . . . . . 0.475 ' O ' HD23 ' A' ' 185' ' ' LEU . 29.7 p -90.17 148.6 22.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 110.039 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . 0.454 ' HB3' ' CD1' ' A' ' 201' ' ' ILE . 1.2 mpp_? -50.93 -28.06 8.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 110.357 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 187' ' ' ASN . 4.1 t0 -71.01 -28.87 64.73 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.48 1.113 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 184' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 181' ' ' SER . 1.1 mmtt -76.83 -19.55 57.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.534 HD12 HG21 ' A' ' 201' ' ' ILE . 1.0 OUTLIER -71.65 -58.26 3.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . 0.402 ' SD ' ' C ' ' A' ' 186' ' ' MET . 5.0 ppp? -71.37 -33.79 69.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 187' ' ' ASN . . . . . 0.417 ' CB ' ' O ' ' A' ' 183' ' ' ASP . 12.2 t-20 -61.88 -63.49 1.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.367 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.413 1.071 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.534 HG21 HD12 ' A' ' 185' ' ' LEU . 0.9 OUTLIER -109.42 -64.78 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.355 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 202' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 201' ' ' ILE . 0.5 OUTLIER -36.41 -33.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.29 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 203' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 201' ' ' ILE . 54.1 t -60.62 -61.27 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 204' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 201' ' ' ILE . 2.0 mt-30 -61.35 -28.78 69.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 110.342 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.475 ' CD1' HG22 ' A' ' 201' ' ' ILE . 0.6 OUTLIER -56.71 -63.58 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . 0.432 ' N ' HG22 ' A' ' 205' ' ' ILE . 73.6 p -50.72 -31.87 17.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.044 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -71.06 -51.77 23.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.353 1.033 . . . . 0.0 110.246 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 208' ' ' LEU . . . . . 0.794 HD22 HD22 ' A' ' 161' ' ' LEU . 53.9 mt -67.86 -28.92 67.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 209' ' ' ARG . . . . . 0.463 ' NH2' ' CB ' ' A' ' 208' ' ' LEU . 6.8 mmp_? -80.3 -41.24 25.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -64.09 -18.7 64.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 211' ' ' MET . . . . . 0.471 ' SD ' ' CE ' ' A' ' 159' ' ' MET . 4.4 ttm -73.77 -62.16 1.59 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 212' ' ' VAL . . . . . 0.589 HG23 ' HG2' ' A' ' 213' ' ' GLU . 30.2 m -76.74 -33.99 22.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.073 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.589 ' HG2' HG23 ' A' ' 212' ' ' VAL . 66.9 mm-40 -112.75 90.12 3.26 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.866 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 220' ' ' ARG . . . . . 0.537 ' HG3' ' CD2' ' A' ' 221' ' ' TYR . 7.7 ptp180 -133.67 -45.26 0.81 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 110.367 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.575 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 75.2 m-85 -87.44 18.32 3.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 111.065 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 222' ' ' ILE . . . . . 0.56 HD11 ' CD2' ' A' ' 232' ' ' PHE . 5.5 mm -151.87 117.47 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.107 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 223' ' ' GLN . . . . . 0.5 ' O ' HG12 ' A' ' 231' ' ' VAL . 73.3 mm-40 -122.94 106.1 10.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.255 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 22.1 m -70.08 117.95 12.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.421 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 225' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 229' ' ' GLY . 62.4 t -116.88 116.95 53.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 46.3 m95 -55.45 -56.94 14.43 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 108.04 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -46.1 -39.48 9.28 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.511 1.132 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . 0.457 ' H ' HG12 ' A' ' 225' ' ' VAL . 1.5 mm? -101.92 -93.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 0.745 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 229' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 174.29 -75.44 0.08 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.148 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 230' ' ' TYR . . . . . 0.417 ' OH ' ' N ' ' A' ' 202' ' ' ASP . 70.7 m-85 -144.38 119.58 10.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.573 0.808 . . . . 0.0 110.973 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 231' ' ' VAL . . . . . 0.5 HG12 ' O ' ' A' ' 223' ' ' GLN . 2.4 p -119.08 144.21 28.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 2.6 t80 -119.96 97.97 5.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.956 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 233' ' ' VAL . . . . . 0.632 HG13 ' HD2' ' A' ' 234' ' ' PRO . 76.6 t -118.64 141.12 29.35 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 234' ' ' PRO . . . . . 0.632 ' HD2' HG13 ' A' ' 233' ' ' VAL . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 110.972 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.725 ' C ' HD12 ' A' ' 138' ' ' ILE . 1.3 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.725 HD12 ' C ' ' A' ' 137' ' ' VAL . 3.6 mp -126.6 107.05 16.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -123.83 148.46 46.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.403 1.065 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.711 ' CD2' ' CE2' ' A' ' 221' ' ' TYR . 10.4 p90 -152.76 80.75 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 140' ' ' PHE . . . 55.79 112.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.69 -60.37 0.47 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 0.75 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.7 ' CG ' ' CE2' ' A' ' 140' ' ' PHE . 75.4 m-85 -65.9 147.23 53.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.95 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -160.27 113.28 2.09 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.62 HD21 ' CD2' ' A' ' 147' ' ' LEU . 8.9 tt -119.12 149.44 41.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.569 ' OD1' HG12 ' A' ' 137' ' ' VAL . 48.3 t30 -151.47 113.39 4.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.729 HD13 ' HG2' ' A' ' 170' ' ' LYS . 12.2 mt -78.56 -36.68 44.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -55.49 -24.54 39.01 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.471 1.107 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 18.8 m -115.98 -12.03 11.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 0.771 . . . . 0.0 110.428 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 57.46 48.72 14.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -150.13 121.0 7.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.412 ' SD ' ' C ' ' A' ' 152' ' ' MET . 0.4 OUTLIER -126.23 151.85 46.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.484 ' HA ' ' O ' ' A' ' 157' ' ' GLU . 0.0 OUTLIER -148.65 174.8 11.77 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.553 1.158 . . . . 0.0 111.044 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . 0.57 ' HG3' ' CE1' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -153.33 91.95 1.55 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 61.47 72.26 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 110.363 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 56.03 68.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.17 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . 0.484 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 44.1 tt0 -159.98 91.79 1.75 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 119.65 5.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.557 1.82 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . 0.401 ' SD ' ' SD ' ' A' ' 152' ' ' MET . 3.2 ptp -149.98 122.36 4.22 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -175.79 2.54 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.483 1.78 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 5.5 mt -141.15 99.71 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.256 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . 0.478 HG23 ' H ' ' A' ' 165' ' ' GLU . 12.9 t -39.26 155.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.387 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.8 m -46.98 -43.56 19.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.041 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.797 ' O ' HG23 ' A' ' 168' ' ' VAL . . . -56.81 -60.13 9.57 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.48 1.112 . . . . 0.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.524 ' HB3' HD21 ' A' ' 208' ' ' LEU . 25.2 mt-10 -57.3 -64.99 0.7 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.416 0.715 . . . . 0.0 110.257 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.521 ' CE1' ' HG3' ' A' ' 170' ' ' LYS . 6.0 t80 -42.52 -45.67 4.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -63.02 -47.0 84.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 164' ' ' GLY . 95.9 t -63.26 -56.97 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 1.015 HD23 HD22 ' A' ' 208' ' ' LEU . 0.2 OUTLIER -57.12 -27.84 62.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.112 . . . . 0.0 109.365 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . 0.729 ' HG2' HD13 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -63.59 -53.39 52.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -54.53 -53.28 56.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.463 HD22 ' HB2' ' A' ' 232' ' ' PHE . 0.5 OUTLIER -54.49 -45.81 73.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.615 1.197 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 25.1 t -70.37 -20.63 22.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 170' ' ' LYS . 1.0 OUTLIER -80.08 -20.35 45.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.622 1.201 . . . . 0.0 110.01 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . 0.552 ' CD2' ' HG3' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -138.88 85.7 16.13 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.555 1.16 . . . . 0.0 109.595 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 122.91 7.48 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.4 1.737 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 73.53 29.98 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.552 ' HG3' ' CD2' ' A' ' 175' ' ' HIS . 6.1 mm-40 -131.74 107.35 14.16 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 179' ' ' PRO . . . . . 0.604 ' HB2' HD12 ' A' ' 228' ' ' LEU . 18.5 Cg_endo -75.0 124.03 8.32 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.475 1.776 . . . . 0.0 111.036 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 2.5 mp -132.78 117.27 17.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 90.6 p -44.5 146.65 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.044 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . 0.661 ' HB2' HD12 ' A' ' 201' ' ' ILE . 0.0 OUTLIER -49.78 -25.22 2.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.78 -32.63 73.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.52 -36.97 60.42 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.718 ' CD2' HG13 ' A' ' 168' ' ' VAL . 2.6 mp -55.04 -64.79 0.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 2.3 ppp? -54.97 -35.78 64.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 110.991 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -52.47 -41.91 63.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 42.0 tp . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.661 HD12 ' HB2' ' A' ' 182' ' ' ARG . 27.0 mt -70.18 -54.59 18.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.386 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 202' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 201' ' ' ILE . 3.0 t0 -40.22 -59.29 1.3 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 43.1 t -51.03 -58.3 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.219 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 204' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 208' ' ' LEU . 0.0 OUTLIER -50.87 -60.22 3.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.277 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.492 HG13 ' CD2' ' A' ' 230' ' ' TYR . 8.2 mm -42.82 -51.7 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 3.6 m -54.45 -41.9 69.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 207' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 204' ' ' GLN . 20.5 mmt85 -76.07 -22.01 56.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.226 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 208' ' ' LEU . . . . . 1.015 HD22 HD23 ' A' ' 169' ' ' LEU . 1.2 mt -80.38 -54.84 5.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 209' ' ' ARG . . . . . 0.694 ' HB3' HG21 ' A' ' 222' ' ' ILE . 0.0 OUTLIER -61.63 -24.38 66.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 110.335 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -74.08 -43.06 59.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.339 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 10.5 mtp -60.72 -52.19 66.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.08 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 212' ' ' VAL . . . . . . . . . . . . . 20.3 m -70.96 -44.39 75.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.218 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -129.14 99.95 5.44 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.912 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.895 0 N-CA-C 111.01 -0.419 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.35 -53.44 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.711 ' CE2' ' CD2' ' A' ' 140' ' ' PHE . 13.5 m-85 -88.85 22.03 2.84 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 222' ' ' ILE . . . . . 0.694 HG21 ' HB3' ' A' ' 209' ' ' ARG . 17.7 mm -141.28 114.27 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.23 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 223' ' ' GLN . . . . . 0.668 ' HB2' HG13 ' A' ' 231' ' ' VAL . 5.7 mm-40 -119.59 105.45 11.22 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.558 1.161 . . . . 0.0 110.257 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 54.9 m -112.56 112.36 23.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.585 1.178 . . . . 0.0 110.368 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 225' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 229' ' ' GLY . 18.6 m -122.61 115.94 47.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -65.57 -22.15 66.67 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -71.21 -16.91 75.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.468 1.105 . . . . 0.0 111.056 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . 0.604 HD12 ' HB2' ' A' ' 179' ' ' PRO . 0.1 OUTLIER -131.88 -69.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 229' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 172.91 -112.24 0.42 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.52 1.137 . . . . 0.0 111.048 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 230' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 182' ' ' ARG . 24.6 m-85 -140.47 113.87 8.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 0.757 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 231' ' ' VAL . . . . . 0.668 HG13 ' HB2' ' A' ' 223' ' ' GLN . 13.1 p -119.5 154.97 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 221' ' ' TYR . 4.2 t80 -120.11 97.81 5.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 93.4 t -110.26 99.74 41.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.225 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 234' ' ' PRO . . . . . 0.567 ' HB3' ' CD2' ' A' ' 221' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.208 0 O-C-N 124.438 1.757 . . . . 0.0 111.004 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.62 HG12 ' CG ' ' A' ' 146' ' ' ASN . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.758 ' HB ' HD22 ' A' ' 145' ' ' LEU . 4.4 mp -134.31 111.19 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.37 1.044 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.647 ' HB2' ' HG2' ' A' ' 144' ' ' LYS . . . -121.01 156.43 32.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.603 ' HE1' HG22 ' A' ' 138' ' ' ILE . 2.3 m-85 -122.08 -179.59 4.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -37.86 -67.32 0.5 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.558 1.162 . . . . 0.0 111.036 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.31 38.33 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 0.806 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.571 ' HB3' ' CD2' ' A' ' 140' ' ' PHE . 1.6 t80 -141.42 166.48 24.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.647 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 1.0 OUTLIER -157.47 124.78 5.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 1.08 HD21 ' CD1' ' A' ' 147' ' ' LEU . 0.4 OUTLIER -139.99 158.42 44.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.741 ' N ' HD23 ' A' ' 145' ' ' LEU . 52.5 t-20 -158.08 117.47 3.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.245 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 1.08 ' CD1' HD21 ' A' ' 145' ' ' LEU . 7.1 mp -77.15 -46.63 22.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -52.93 -20.12 7.9 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.457 1.098 . . . . 0.0 110.979 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . 0.404 ' O ' ' CB ' ' A' ' 150' ' ' ARG . 4.3 m -113.03 -36.14 5.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.746 . . . . 0.0 110.398 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.492 ' HG3' ' CD2' ' A' ' 166' ' ' PHE . 0.1 OUTLIER 77.88 40.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.294 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -144.19 114.09 7.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.574 1.172 . . . . 0.0 110.327 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.758 ' HG2' HD11 ' A' ' 161' ' ' LEU . 0.1 OUTLIER -126.8 152.93 46.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.516 ' CD1' ' N ' ' A' ' 153' ' ' PHE . 0.1 OUTLIER -128.61 173.73 10.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.394 1.059 . . . . 0.0 111.04 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . 0.566 ' HB3' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -159.76 121.14 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 110.264 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 54.01 41.1 32.16 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.571 1.169 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 4.5 t70 70.11 50.67 0.43 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.152 . . . . 0.0 109.317 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 0.1 OUTLIER -154.43 104.11 2.38 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.07 . . . . 0.0 110.202 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 139.46 24.04 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.508 1.794 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . 0.465 ' CG ' ' SD ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -140.23 145.16 40.38 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 111.028 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.15 174.09 13.39 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.782 . . . . 0.0 110.914 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.758 HD11 ' HG2' ' A' ' 152' ' ' MET . 8.7 mt -134.72 111.06 9.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . 0.565 HG22 ' H ' ' A' ' 164' ' ' GLY . 7.2 m -62.34 143.13 57.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.396 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 10.5 m -40.08 -37.02 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.958 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.565 ' H ' HG22 ' A' ' 162' ' ' THR . . . -70.36 -56.26 7.91 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.863 ' HB3' HD21 ' A' ' 208' ' ' LEU . 6.6 mt-10 -54.1 -63.21 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.36 0.682 . . . . 0.0 110.238 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.529 ' CE2' ' HA ' ' A' ' 147' ' ' LEU . 5.8 t80 -46.54 -53.53 11.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -55.49 -60.92 2.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.657 HG22 HD13 ' A' ' 201' ' ' ILE . 37.9 t -50.8 -60.38 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.72 HD13 HD22 ' A' ' 208' ' ' LEU . 0.8 OUTLIER -49.89 -45.06 50.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . 0.598 ' HG3' HD23 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -52.85 -58.97 5.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 109.254 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.423 ' HA ' HD22 ' A' ' 188' ' ' LEU . . . -57.24 -23.92 51.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.637 HD13 HD21 ' A' ' 185' ' ' LEU . 6.4 tp -79.49 -49.53 12.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 170' ' ' LYS . 5.5 p -80.04 0.15 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 170' ' ' LYS . 40.7 t -84.23 -28.25 27.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.095 . . . . 0.0 110.018 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -125.35 92.37 47.17 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.521 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 132.57 15.53 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.456 1.766 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.424 ' O ' HG21 ' A' ' 231' ' ' VAL . 0.4 OUTLIER 72.87 -58.32 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -57.28 109.45 1.75 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.155 . . . . 0.0 110.344 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 179' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 140.58 25.51 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.508 1.794 . . . . 0.0 111.0 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.614 HD23 ' HB3' ' A' ' 184' ' ' LYS . 2.8 mp -124.56 154.31 40.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 181' ' ' SER . . . . . 0.66 ' O ' HD12 ' A' ' 185' ' ' LEU . 51.8 p -74.54 161.08 30.09 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.548 1.155 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -37.88 63.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.84 -49.46 38.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 184' ' ' LYS . . . . . 0.614 ' HB3' HD23 ' A' ' 180' ' ' LEU . 11.0 mmtm -49.2 -27.14 3.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.064 . . . . 0.0 109.237 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 181' ' ' SER . 2.6 mp -70.56 -62.64 1.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.362 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . 0.407 ' HG3' ' N ' ' A' ' 187' ' ' ASN . 1.7 ppp? -64.93 -18.37 65.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.59 1.182 . . . . 0.0 111.016 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 187' ' ' ASN . . . . . 0.407 ' N ' ' HG3' ' A' ' 186' ' ' MET . 2.5 t30 -79.86 -53.47 6.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.384 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 171' ' ' ALA . 9.8 tt . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.657 HD13 HG22 ' A' ' 168' ' ' VAL . 2.5 mm -61.65 -59.11 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.405 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -46.36 -31.15 2.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 69.7 t -79.7 -50.39 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.122 . . . . 0.0 109.401 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 204' ' ' GLN . . . . . 0.454 ' CB ' HG21 ' A' ' 168' ' ' VAL . 1.3 tp60 -59.32 -38.82 81.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.483 HG13 ' CD1' ' A' ' 230' ' ' TYR . 21.3 mm -63.12 -62.41 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.366 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 3.9 t -44.99 -53.25 7.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.043 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -58.19 -27.59 64.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 208' ' ' LEU . . . . . 0.863 HD21 ' HB3' ' A' ' 165' ' ' GLU . 15.8 mt -80.13 -54.56 5.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 209' ' ' ARG . . . . . 0.694 ' HG2' HG21 ' A' ' 222' ' ' ILE . 19.1 mtm105 -42.47 -47.65 5.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.358 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -34.5 73.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 211' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 208' ' ' LEU . 0.0 OUTLIER -69.05 -57.31 5.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 212' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 208' ' ' LEU . 34.9 m -72.1 -35.6 53.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 209' ' ' ARG . 14.4 mm-40 -128.1 92.75 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 11.5 pm0 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.889 0 N-CA-C 110.989 -0.427 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.7 -46.88 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.425 1.078 . . . . 0.0 110.348 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.678 ' O ' HD13 ' A' ' 222' ' ' ILE . 34.5 m-85 -88.46 20.19 3.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 222' ' ' ILE . . . . . 0.694 HG21 ' HG2' ' A' ' 209' ' ' ARG . 16.8 mm -143.6 115.59 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 223' ' ' GLN . . . . . 0.517 ' O ' HG12 ' A' ' 231' ' ' VAL . 0.7 OUTLIER -119.45 93.12 3.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 224' ' ' THR . . . . . 0.566 HG23 ' CE1' ' A' ' 230' ' ' TYR . 36.3 m -84.41 119.03 24.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 225' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 229' ' ' GLY . 30.1 m -129.47 125.57 61.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 6.4 m-90 -66.1 -46.42 77.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -44.81 -25.52 0.94 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.18 -80.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 0.801 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 229' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 176.55 -91.29 0.08 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.477 1.111 . . . . 0.0 111.046 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 230' ' ' TYR . . . . . 0.642 ' CE2' HG22 ' A' ' 201' ' ' ILE . 83.8 m-85 -149.91 121.84 8.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 111.003 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 231' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 223' ' ' GLN . 4.8 p -119.36 155.31 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.62 ' CD2' HD23 ' A' ' 172' ' ' LEU . 1.5 t80 -119.71 98.56 6.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 54.0 t -109.11 101.06 43.45 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 234' ' ' PRO . . . . . 0.498 ' HA ' ' CD2' ' A' ' 221' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.145 0 O-C-N 124.42 1.747 . . . . 0.0 111.06 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.551 HG23 ' N ' ' A' ' 138' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.227 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.607 ' HB ' HD22 ' A' ' 145' ' ' LEU . 28.9 mm -147.85 116.76 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.464 ' HB1' ' HG2' ' A' ' 144' ' ' LYS . . . -120.82 160.91 22.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.579 ' CD1' ' HB2' ' A' ' 143' ' ' PHE . 3.6 m-85 -126.75 -178.81 4.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.94 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.85 -9.44 46.21 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.481 1.113 . . . . 0.0 111.081 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.485 ' HG3' ' CD1' ' A' ' 143' ' ' PHE . 1.9 ptmt -144.09 -48.25 0.28 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 0.779 . . . . 0.0 109.239 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.592 ' CE2' ' O ' ' A' ' 212' ' ' VAL . 48.7 m-85 -75.9 172.17 13.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.534 ' HB3' ' CD2' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -158.86 111.18 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.607 HD22 ' HB ' ' A' ' 138' ' ' ILE . 3.1 tt -119.57 148.83 42.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.616 1.197 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -160.89 114.99 2.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.357 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.751 HD13 ' CG ' ' A' ' 170' ' ' LYS . 10.1 mt -82.3 -35.62 27.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.294 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -62.37 -19.22 59.59 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 55.4 m -116.86 -10.7 10.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 110.357 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 54.47 49.88 17.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 110.366 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -148.66 120.36 8.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.555 ' C ' ' CD1' ' A' ' 153' ' ' PHE . 0.2 OUTLIER -130.29 148.04 52.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.391 1.057 . . . . 0.0 110.931 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -143.45 -179.74 6.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 111.016 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -157.63 101.41 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 55.56 70.23 0.65 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.25 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 54.25 65.56 1.48 Allowed 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . 0.466 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 1.0 OUTLIER -159.47 92.79 1.81 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.33 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 129.86 12.84 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.456 1.766 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . 0.441 ' HE3' ' CG ' ' A' ' 211' ' ' MET . 0.1 OUTLIER -157.52 138.09 9.16 Favored Pre-proline 0 C--N 1.323 -0.553 0 O-C-N 124.471 1.107 . . . . 0.0 111.078 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . 0.457 ' O ' HD23 ' A' ' 161' ' ' LEU . 17.9 Cg_endo -75.03 -171.21 0.92 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.571 1.827 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 160' ' ' PRO . 80.9 mt -148.49 102.09 3.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 165' ' ' GLU . 4.5 t -42.15 143.42 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 167' ' ' ALA . 9.0 m -39.84 -46.53 1.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.967 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -53.47 -47.04 64.06 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.563 1.165 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 162' ' ' THR . 41.3 mt-10 -73.86 -65.14 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.795 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.458 ' C ' ' CD1' ' A' ' 166' ' ' PHE . 4.0 t80 -43.94 -50.23 8.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.498 ' CB ' ' O ' ' A' ' 163' ' ' SER . . . -58.64 -60.2 4.2 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.496 ' O ' ' HB3' ' A' ' 171' ' ' ALA . 9.9 t -51.92 -61.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.443 1.09 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.748 HD13 ' C ' ' A' ' 169' ' ' LEU . 1.1 tm? -45.14 -43.71 10.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . 0.751 ' CG ' HD13 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -58.03 -39.37 78.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 168' ' ' VAL . . . -57.37 -54.49 46.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.489 HD22 ' HB2' ' A' ' 232' ' ' PHE . 0.3 OUTLIER -59.01 -40.23 84.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.221 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 24.5 t -74.6 -13.64 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.343 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 170' ' ' LYS . 7.5 t -79.21 -33.24 43.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.939 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . 0.432 ' HB3' ' CB ' ' A' ' 178' ' ' GLU . 11.8 m80 -123.03 88.01 50.97 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.179 . . . . 0.0 109.584 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 118.58 5.33 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 0.0 111.059 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 74.0 22.29 2.42 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.432 ' CB ' ' HB3' ' A' ' 175' ' ' HIS . 1.9 mm-40 -126.67 119.91 22.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 110.243 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 179' ' ' PRO . . . . . 0.55 ' HB2' HD12 ' A' ' 228' ' ' LEU . 18.3 Cg_endo -75.07 150.49 37.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.524 1.802 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.486 ' O ' ' CD1' ' A' ' 185' ' ' LEU . 1.6 mp -158.03 136.16 10.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.432 1.083 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 12.0 p -67.65 145.29 54.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . 0.512 ' HB3' ' CE1' ' A' ' 230' ' ' TYR . 0.1 OUTLIER -48.18 -24.38 1.13 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -69.16 -50.26 49.36 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.504 1.127 . . . . 0.0 109.221 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 184' ' ' LYS . . . . . 0.484 ' CG ' HD23 ' A' ' 180' ' ' LEU . 13.8 tptt -75.13 -31.66 61.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.365 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.486 ' CD1' ' O ' ' A' ' 180' ' ' LEU . 0.0 OUTLIER -57.95 -58.76 6.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.615 1.197 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 187' ' ' ASN . 4.0 ptt? -66.49 -33.42 75.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 187' ' ' ASN . . . . . 0.413 ' N ' ' HG3' ' A' ' 186' ' ' MET . 1.7 t30 -66.21 -55.25 17.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 4.5 tp . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.596 1.185 . . . . 0.0 109.282 -179.934 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.483 HD12 ' CD2' ' A' ' 185' ' ' LEU . 4.9 mm -54.2 -56.82 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.29 -35.4 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 87.7 t -80.13 -44.2 22.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 204' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 201' ' ' ILE . 30.7 mm-40 -62.24 -58.99 5.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.37 1.044 . . . . 0.0 110.3 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -52.34 -33.49 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 29.5 t -67.74 -41.22 83.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -75.92 -28.33 57.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.219 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 208' ' ' LEU . . . . . 0.681 ' O ' HG22 ' A' ' 212' ' ' VAL . 14.1 mt -74.49 -43.84 54.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.581 1.176 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 209' ' ' ARG . . . . . 0.435 ' CG ' HG21 ' A' ' 222' ' ' ILE . 4.0 mtp180 -56.95 -49.11 76.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.342 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -19.89 62.55 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.604 1.19 . . . . 0.0 110.301 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 211' ' ' MET . . . . . 0.441 ' CG ' ' HE3' ' A' ' 159' ' ' MET . 36.9 ttm -78.82 -48.98 13.73 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 212' ' ' VAL . . . . . 0.822 HG23 ' HG2' ' A' ' 213' ' ' GLU . 25.2 m -80.71 -33.65 13.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.822 ' HG2' HG23 ' A' ' 212' ' ' VAL . 17.1 mm-40 -136.59 -149.45 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.242 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.95 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.898 0 N-CA-C 111.0 -0.423 . . . . 0.0 111.0 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -137.23 -50.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.244 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.562 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 26.9 m-85 -90.02 20.02 4.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.586 1.179 . . . . 0.0 110.97 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 222' ' ' ILE . . . . . 0.513 HD13 ' O ' ' A' ' 221' ' ' TYR . 31.4 mm -144.89 116.64 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 223' ' ' GLN . . . . . 0.738 ' O ' HG12 ' A' ' 231' ' ' VAL . 0.1 OUTLIER -119.72 80.06 1.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.168 . . . . 0.0 110.23 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 98.7 m -74.58 123.88 25.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 225' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 229' ' ' GLY . 2.2 p -131.31 112.23 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 226' ' ' TRP . . . . . 0.453 ' O ' ' N ' ' A' ' 228' ' ' LEU . 0.8 OUTLIER -58.45 -56.33 23.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 108.012 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -37.51 -30.76 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.448 1.092 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . 0.55 HD12 ' HB2' ' A' ' 179' ' ' PRO . 1.0 OUTLIER -115.08 -85.65 0.61 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 0.756 . . . . 0.0 109.298 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 229' ' ' GLY . . . . . 0.594 ' C ' ' CD1' ' A' ' 230' ' ' TYR . . . -173.74 -94.19 0.09 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 230' ' ' TYR . . . . . 0.594 ' CD1' ' C ' ' A' ' 229' ' ' GLY . 35.6 m-85 -151.25 119.53 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 231' ' ' VAL . . . . . 0.738 HG12 ' O ' ' A' ' 223' ' ' GLN . 2.9 p -119.33 157.66 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 1.5 t80 -122.11 100.36 6.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 53.1 t -112.63 96.24 35.96 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.651 HG23 ' N ' ' A' ' 138' ' ' ILE . 1.4 m . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.651 ' N ' HG23 ' A' ' 137' ' ' VAL . 5.3 mp -134.62 110.47 13.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.408 1.068 . . . . 0.0 109.301 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 143' ' ' PHE . . . -129.41 152.51 48.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.734 ' CE2' ' CG ' ' A' ' 143' ' ' PHE . 3.2 p90 -160.18 123.52 3.52 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.475 1.109 . . . . 0.0 110.952 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 64.11 -88.84 0.08 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -123.96 0.23 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.598 0.822 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.734 ' CG ' ' CE2' ' A' ' 140' ' ' PHE . 98.6 m-85 -94.97 138.51 32.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.57 ' HG3' ' CD2' ' A' ' 153' ' ' PHE . 0.3 OUTLIER -147.32 110.26 4.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.734 HD12 ' SD ' ' A' ' 152' ' ' MET . 4.3 tt -119.79 148.06 43.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.416 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 46.5 t-20 -150.86 114.82 5.01 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.469 1.106 . . . . 0.0 109.226 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.962 HD13 ' HG3' ' A' ' 170' ' ' LYS . 10.0 mt -75.61 -43.17 49.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.409 1.068 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -50.7 -26.12 10.17 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 98.4 m -117.16 -11.26 10.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 0.784 . . . . 0.0 110.343 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 16.5 ttp85 53.61 50.06 18.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -144.06 116.38 8.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.341 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.734 ' SD ' HD12 ' A' ' 145' ' ' LEU . 12.8 ttt -132.36 149.71 52.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.387 1.055 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.57 ' CD2' ' HG3' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -147.23 179.46 7.62 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . 0.567 ' HG3' ' CE1' ' A' ' 143' ' ' PHE . 0.1 OUTLIER -160.13 104.01 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.202 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 57.22 67.91 0.92 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.482 1.114 . . . . 0.0 110.254 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 5.3 t70 53.4 65.67 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . 0.434 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -156.98 91.62 2.44 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.113 . . . . 0.0 110.247 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 124.93 8.98 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.557 1.819 . . . . 0.0 110.986 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . 0.418 ' HA ' ' HD3' ' A' ' 160' ' ' PRO . 0.0 OUTLIER -149.28 138.81 12.83 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.436 1.085 . . . . 0.0 110.953 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 159' ' ' MET . 18.1 Cg_endo -75.1 -163.29 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.403 1.738 . . . . 0.0 110.948 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.663 HD23 ' HE1' ' A' ' 211' ' ' MET . 1.7 mt -141.45 102.99 4.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 161' ' ' LEU . 9.7 m -38.42 152.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 110.387 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 9.0 m -50.72 -37.25 40.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 109.946 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -79.34 -49.2 6.37 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.523 1.139 . . . . 0.0 111.054 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.59 ' HA ' HD21 ' A' ' 208' ' ' LEU . 1.9 mt-10 -53.9 -62.29 1.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 110.276 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 147' ' ' LEU . 6.1 t80 -50.42 -54.52 21.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -57.37 -59.97 4.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.796 HG11 ' HB3' ' A' ' 204' ' ' GLN . 14.5 t -46.11 -47.46 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.359 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.754 HD13 HD12 ' A' ' 208' ' ' LEU . 14.8 tp -64.96 -48.76 72.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . 0.962 ' HG3' HD13 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -51.19 -36.81 43.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.609 1.193 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.411 ' HB1' ' HA ' ' A' ' 185' ' ' LEU . . . -64.95 -44.0 90.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.6 -48.85 45.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 11.5 t -65.56 -19.72 26.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.24 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.84 -35.17 79.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.052 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . 0.415 ' CB ' HD11 ' A' ' 180' ' ' LEU . 0.1 OUTLIER -128.81 92.31 40.5 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.614 1.196 . . . . 0.0 109.59 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 176' ' ' PRO . . . . . 0.466 ' O ' ' CB ' ' A' ' 177' ' ' ARG . 18.4 Cg_endo -74.97 111.19 3.27 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.533 1.807 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.466 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 6.2 ttp-105 81.53 30.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.35 114.93 12.6 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 179' ' ' PRO . . . . . 0.91 ' CB ' HD13 ' A' ' 228' ' ' LEU . 18.5 Cg_endo -74.86 134.93 18.69 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.404 1.739 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.426 HD22 HD22 ' A' ' 188' ' ' LEU . 1.2 mp -135.05 164.71 27.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 181' ' ' SER . . . . . 0.557 ' O ' HD12 ' A' ' 185' ' ' LEU . 13.0 t -84.13 153.05 23.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.594 1.184 . . . . 0.0 110.008 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . 0.51 ' O ' ' CD1' ' A' ' 201' ' ' ILE . 1.3 mpp_? -52.18 -35.8 49.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.404 1.065 . . . . 0.0 110.288 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -72.97 -34.96 66.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 109.263 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -65.34 -41.98 93.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.359 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.647 ' HB2' HD13 ' A' ' 201' ' ' ILE . 3.5 mp -54.24 -63.11 1.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 25.6 ttt -39.93 -44.24 1.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.995 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -73.86 -54.53 7.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.426 HD22 HD22 ' A' ' 180' ' ' LEU . 1.9 tp . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 200' ' ' SER . . . . . 0.642 ' OG ' HG21 ' A' ' 203' ' ' VAL . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.647 HD13 ' HB2' ' A' ' 185' ' ' LEU . 62.2 mt -93.4 -60.88 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.65 -45.32 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 203' ' ' VAL . . . . . 0.642 HG21 ' OG ' ' A' ' 200' ' ' SER . 10.2 m -67.65 -33.77 63.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 204' ' ' GLN . . . . . 0.796 ' HB3' HG11 ' A' ' 168' ' ' VAL . 0.1 OUTLIER -71.65 -47.38 54.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 110.243 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.56 HG13 ' CD1' ' A' ' 230' ' ' TYR . 22.7 mm -39.96 -31.94 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.374 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 204' ' ' GLN . 0.2 OUTLIER -79.94 -55.11 5.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.087 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 207' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 211' ' ' MET . 35.9 mmt180 -58.21 -30.25 66.34 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.098 . . . . 0.0 110.265 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 208' ' ' LEU . . . . . 0.789 ' O ' HG22 ' A' ' 212' ' ' VAL . 3.8 mm? -79.94 -50.08 10.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 209' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 213' ' ' GLU . 20.1 ttm180 -51.76 -53.36 40.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.444 1.09 . . . . 0.0 110.235 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -65.17 -35.02 79.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 211' ' ' MET . . . . . 0.663 ' HE1' HD23 ' A' ' 161' ' ' LEU . 26.1 mtp -63.62 -50.86 67.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 111.066 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 212' ' ' VAL . . . . . 0.789 HG22 ' O ' ' A' ' 208' ' ' LEU . 21.6 m -79.5 -24.6 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.229 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.745 ' HG2' HG23 ' A' ' 212' ' ' VAL . 2.1 mm-40 -111.27 -147.43 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.617 1.198 . . . . 0.0 110.302 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 110.971 -0.434 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.79 -55.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.596 1.185 . . . . 0.0 110.325 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.563 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 79.2 m-85 -95.15 21.43 7.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 222' ' ' ILE . . . . . . . . . . . . . 17.9 mt -152.94 117.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.618 1.199 . . . . 0.0 109.185 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 223' ' ' GLN . . . . . 0.69 ' O ' HG12 ' A' ' 231' ' ' VAL . 2.2 mm-40 -125.33 108.98 12.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 224' ' ' THR . . . . . 0.439 ' C ' ' CG2' ' A' ' 225' ' ' VAL . 1.0 OUTLIER -76.93 153.28 34.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.621 1.201 . . . . 0.0 110.39 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 225' ' ' VAL . . . . . 0.656 HG11 HD12 ' A' ' 228' ' ' LEU . 2.2 t -150.85 116.07 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.437 1.086 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -65.72 -45.92 80.86 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -54.26 -39.06 63.33 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.415 1.072 . . . . 0.0 111.024 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . 0.91 HD13 ' CB ' ' A' ' 179' ' ' PRO . 4.8 mt -102.52 -82.86 0.48 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.417 0.716 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 229' ' ' GLY . . . . . 0.593 ' O ' ' CD1' ' A' ' 230' ' ' TYR . . . 175.4 -75.0 0.08 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 230' ' ' TYR . . . . . 0.605 ' CD2' HG21 ' A' ' 201' ' ' ILE . 60.8 m-85 -160.1 122.03 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 110.952 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 231' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 223' ' ' GLN . 9.6 p -119.72 152.7 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 4.9 t80 -119.86 97.53 5.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.583 1.177 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 41.1 t -106.52 104.07 49.05 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.25 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.116 0 O-C-N 124.54 1.811 . . . . 0.0 110.998 -179.955 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.414 HG23 ' N ' ' A' ' 138' ' ' ILE . 1.4 m . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.414 ' N ' HG23 ' A' ' 137' ' ' VAL . 16.2 mm -132.07 108.24 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.542 ' HB2' ' HG2' ' A' ' 144' ' ' LYS . . . -119.8 161.94 19.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 143' ' ' PHE . 4.4 m-85 -126.27 -179.47 4.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 111.065 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -59.29 -15.02 29.06 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.566 1.166 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -138.63 -49.88 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.564 ' HB2' ' CD1' ' A' ' 140' ' ' PHE . 13.0 m-85 -74.07 161.14 30.34 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.537 1.148 . . . . 0.0 111.073 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.542 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 0.1 OUTLIER -150.33 110.18 4.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.89 HD12 ' HG3' ' A' ' 152' ' ' MET . 7.5 tt -119.61 157.34 28.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.448 ' ND2' ' OG1' ' A' ' 149' ' ' THR . 57.2 t-20 -160.47 117.86 2.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 0.0 109.335 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.765 HD13 ' HG2' ' A' ' 170' ' ' LYS . 22.8 mt -76.79 -45.57 28.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -56.84 -21.73 38.17 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . 0.448 ' OG1' ' ND2' ' A' ' 146' ' ' ASN . 96.8 m -113.56 -9.31 13.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.766 . . . . 0.0 110.382 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.52 53.55 9.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.464 ' HB3' ' CE1' ' A' ' 153' ' ' PHE . 3.8 mt-10 -152.76 121.04 6.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.419 1.074 . . . . 0.0 110.296 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.89 ' HG3' HD12 ' A' ' 145' ' ' LEU . 1.1 tmt? -125.95 144.9 50.51 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -148.99 150.59 33.09 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.422 1.077 . . . . 0.0 110.932 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 155' ' ' GLU . 0.8 OUTLIER -119.84 100.21 7.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 110.28 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . 0.526 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 0.3 OUTLIER 87.74 -30.95 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 155' ' ' GLU . 0.2 OUTLIER 161.86 -28.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.351 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 1.1 tp10 -61.1 126.25 85.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.257 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 131.61 14.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 152' ' ' MET . 8.1 mmm -130.93 107.24 15.2 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 111.053 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 157.65 42.44 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.436 1.756 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.557 HD12 ' HB2' ' A' ' 166' ' ' PHE . 0.2 OUTLIER -141.45 103.68 4.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 81.6 m -50.75 164.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 68.6 m -49.12 -53.74 19.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.927 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.654 ' O ' HG23 ' A' ' 168' ' ' VAL . . . -50.49 -57.76 10.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.526 1.141 . . . . 0.0 111.059 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.11 -50.1 70.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.506 0.768 . . . . 0.0 110.255 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 147' ' ' LEU . 1.3 t80 -60.01 -40.8 90.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -65.63 -41.66 92.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 164' ' ' GLY . 72.3 t -63.78 -57.3 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.475 HD13 HD22 ' A' ' 208' ' ' LEU . 0.6 OUTLIER -60.88 -20.25 61.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . 0.765 ' HG2' HD13 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -70.81 -59.34 2.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -47.68 -48.98 28.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.606 HD22 ' HB2' ' A' ' 232' ' ' PHE . 1.4 mt -59.32 -46.81 87.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.238 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 169' ' ' LEU . 26.6 t -70.88 -10.94 14.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.228 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 170' ' ' LYS . 0.1 OUTLIER -91.11 0.03 57.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.962 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . 0.521 ' CD2' ' HG2' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -154.66 89.4 3.21 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.6 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 126.69 10.18 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 2.4 ttm105 58.17 46.94 15.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.521 ' HG2' ' CD2' ' A' ' 175' ' ' HIS . 0.9 OUTLIER -147.15 117.07 4.45 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 179' ' ' PRO . . . . . 0.583 ' O ' HD12 ' A' ' 180' ' ' LEU . 18.5 Cg_endo -74.97 146.11 32.39 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.484 1.781 . . . . 0.0 111.087 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 179' ' ' PRO . 0.5 OUTLIER -147.79 119.45 8.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.26 158.81 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.032 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . 0.747 ' HG2' HD12 ' A' ' 201' ' ' ILE . 0.1 OUTLIER -59.69 -20.35 55.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.64 -46.9 18.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.4 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -65.08 -52.22 56.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.598 1.186 . . . . 0.0 109.305 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.522 HD13 ' HB2' ' A' ' 230' ' ' TYR . 0.3 OUTLIER -45.78 -51.21 13.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 2.7 tpt -57.02 -59.48 5.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -43.26 -46.7 6.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 1.072 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.438 ' HA ' HD23 ' A' ' 188' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 200' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 202' ' ' ASP . 2.3 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.747 HD12 ' HG2' ' A' ' 182' ' ' ARG . 50.2 mt 65.92 -74.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 202' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 200' ' ' SER . 0.0 OUTLIER -40.28 -31.32 0.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.399 1.062 . . . . 0.0 109.285 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 203' ' ' VAL . . . . . 0.417 ' N ' ' C ' ' A' ' 201' ' ' ILE . 3.4 t -73.22 -55.35 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.589 1.181 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 204' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 201' ' ' ILE . 11.9 mm-40 -63.23 -48.11 79.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.252 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.508 HG22 ' HD2' ' A' ' 209' ' ' ARG . 28.7 mm -46.7 -42.23 5.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.569 1.168 . . . . 0.0 109.368 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 42.4 m -61.96 -41.68 98.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.095 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -73.37 -33.93 65.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.44 1.088 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 208' ' ' LEU . . . . . 0.614 ' O ' HG22 ' A' ' 212' ' ' VAL . 52.0 mt -68.85 -28.23 66.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 209' ' ' ARG . . . . . 0.578 ' CG ' HG21 ' A' ' 222' ' ' ILE . 0.1 OUTLIER -70.13 -57.89 4.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.338 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.15 -15.31 32.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.266 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -79.17 -60.38 2.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 212' ' ' VAL . . . . . 0.986 HG23 ' HG2' ' A' ' 213' ' ' GLU . 31.5 m -76.84 -30.56 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.986 ' HG2' HG23 ' A' ' 212' ' ' VAL . 7.4 mm-40 -141.65 101.38 3.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.155 . . . . 0.0 110.272 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.346 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.941 0 N-CA-C 111.074 -0.395 . . . . 0.0 111.074 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 220' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 233' ' ' VAL . 0.1 OUTLIER -162.05 -40.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 110.336 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.533 ' O ' HD13 ' A' ' 222' ' ' ILE . 70.1 m-85 -77.98 9.36 3.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 222' ' ' ILE . . . . . 0.578 HG21 ' CG ' ' A' ' 209' ' ' ARG . 6.5 mm -140.21 108.19 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.39 1.056 . . . . 0.0 109.225 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 223' ' ' GLN . . . . . 0.784 ' O ' HG12 ' A' ' 231' ' ' VAL . 1.5 mt-30 -120.98 85.26 2.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 224' ' ' THR . . . . . 0.781 HG23 ' CD1' ' A' ' 230' ' ' TYR . 51.9 m -80.33 116.09 20.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.426 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 225' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 229' ' ' GLY . 3.8 t -108.43 117.27 53.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -64.02 -50.72 67.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 108.039 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -55.7 -49.94 63.22 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.431 1.082 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . 0.438 HD12 ' HB2' ' A' ' 179' ' ' PRO . 2.3 mm? -82.19 -79.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 109.37 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 229' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 176.52 -95.03 0.1 OUTLIER Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.44 1.087 . . . . 0.0 110.978 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 230' ' ' TYR . . . . . 0.781 ' CD1' HG23 ' A' ' 224' ' ' THR . 91.5 m-85 -150.48 116.21 5.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 0.731 . . . . 0.0 111.004 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 231' ' ' VAL . . . . . 0.784 HG12 ' O ' ' A' ' 223' ' ' GLN . 7.6 p -120.01 146.6 24.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.606 ' HB2' HD22 ' A' ' 172' ' ' LEU . 4.7 t80 -119.96 93.83 4.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 233' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 220' ' ' ARG . 97.4 t -101.3 108.16 53.81 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 109.375 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 234' ' ' PRO . . . . . 0.498 ' HA ' ' CD2' ' A' ' 221' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.484 ' HB ' ' CB ' ' A' ' 146' ' ' ASN . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.753 ' HB ' HD23 ' A' ' 145' ' ' LEU . 4.4 mm -135.91 113.19 14.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.413 ' HB2' ' HG2' ' A' ' 144' ' ' LYS . . . -119.4 163.78 16.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.677 ' CD1' ' N ' ' A' ' 140' ' ' PHE . 0.0 OUTLIER -142.67 -177.8 5.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 111.005 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -34.89 -88.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -103.3 38.82 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.416 0.715 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 154' ' ' ARG . 4.0 t80 -147.11 149.7 33.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.413 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 0.9 OUTLIER -140.8 145.73 36.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.753 HD23 ' HB ' ' A' ' 138' ' ' ILE . 0.2 OUTLIER -156.68 145.07 19.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.484 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 59.7 t-20 -150.38 118.98 6.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.614 HD11 HD21 ' A' ' 145' ' ' LEU . 1.0 OUTLIER -79.24 -46.6 17.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -56.28 -19.03 23.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.543 1.152 . . . . 0.0 111.076 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . 0.534 HG22 ' HG3' ' A' ' 151' ' ' GLU . 24.7 m -113.15 -13.84 12.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 110.446 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 53.88 50.31 17.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.534 ' HG3' HG22 ' A' ' 149' ' ' THR . 9.0 mt-10 -144.25 119.21 9.98 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.529 1.143 . . . . 0.0 110.348 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.865 ' HE1' HG12 ' A' ' 212' ' ' VAL . 4.7 ttm -118.6 150.98 38.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.697 ' CD1' ' N ' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -151.56 154.77 37.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 111.051 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . 0.575 ' HB2' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -151.59 122.31 7.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 110.305 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . 0.424 ' C ' ' N ' ' A' ' 157' ' ' GLU . 2.0 mt-10 72.98 62.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 42.51 28.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.594 1.183 . . . . 0.0 109.339 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 155' ' ' GLU . 19.2 mt-10 -132.98 143.49 48.82 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 159.04 41.91 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.595 1.839 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 152' ' ' MET . 0.1 OUTLIER -160.0 119.17 1.62 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 111.073 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 179.21 6.3 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.541 1.811 . . . . 0.0 111.04 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.529 HD12 ' HB2' ' A' ' 166' ' ' PHE . 0.8 OUTLIER -160.07 120.76 3.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 62.4 m -57.91 167.45 1.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 110.387 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 72.8 m -68.8 -38.78 80.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.587 1.18 . . . . 0.0 109.928 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -54.04 -39.76 64.2 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.115 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 167' ' ' ALA . 0.6 OUTLIER -71.75 -65.94 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 0.785 . . . . 0.0 110.226 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 147' ' ' LEU . 5.7 t80 -40.74 -27.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 165' ' ' GLU . . . -66.16 -63.55 1.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.645 HG12 HD12 ' A' ' 172' ' ' LEU . 19.6 t -70.58 -47.59 63.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 1.009 ' O ' HD22 ' A' ' 169' ' ' LEU . 0.1 OUTLIER -47.93 -36.73 12.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 174' ' ' SER . 72.3 tttt -79.61 -30.0 41.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.155 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 168' ' ' VAL . . . -72.32 -33.64 67.5 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.544 1.152 . . . . 0.0 109.37 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.813 HD11 HD11 ' A' ' 205' ' ' ILE . 0.2 OUTLIER -77.2 -48.02 18.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.568 HG21 HG13 ' A' ' 138' ' ' ILE . 0.3 OUTLIER -75.78 -10.42 13.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 170' ' ' LYS . 0.5 OUTLIER -65.98 -33.35 75.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.551 1.157 . . . . 0.0 109.986 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -135.05 94.26 16.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.413 1.071 . . . . 0.0 109.637 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 136.71 20.87 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.488 1.783 . . . . 0.0 110.994 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.24 23.67 9.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.343 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.456 ' C ' HG23 ' A' ' 231' ' ' VAL . 0.0 OUTLIER -132.42 108.87 13.48 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 179' ' ' PRO . . . . . 0.634 ' CB ' HD13 ' A' ' 228' ' ' LEU . 18.4 Cg_endo -75.04 139.37 24.11 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.498 1.789 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 33.0 mt -131.54 145.96 51.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 181' ' ' SER . . . . . 0.653 ' O ' HD12 ' A' ' 185' ' ' LEU . 15.2 p -70.01 149.65 47.47 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 1.11 . . . . 0.0 109.939 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . 0.497 HH21 ' HB2' ' A' ' 181' ' ' SER . 0.0 OUTLIER -42.32 -38.86 1.95 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.94 -53.61 12.56 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -44.8 -42.97 8.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.659 HD21 ' HB2' ' A' ' 230' ' ' TYR . 5.0 mp -54.7 -63.77 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.411 1.069 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 16.6 tpt -56.27 -43.35 78.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -59.67 -55.12 38.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.226 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.986 -0.375 . . . . 0.0 109.986 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.667 HG21 ' CE2' ' A' ' 230' ' ' TYR . 3.2 mm -95.49 -80.73 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.46 -30.34 0.07 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.394 1.059 . . . . 0.0 109.35 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 203' ' ' VAL . . . . . 0.446 ' N ' ' C ' ' A' ' 201' ' ' ILE . 40.9 t -71.04 -60.2 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.248 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 204' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 207' ' ' ARG . 47.7 mm-40 -64.24 -44.99 90.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.347 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.813 HD11 HD11 ' A' ' 172' ' ' LEU . 6.9 mm -42.41 -48.89 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.221 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.84 -38.11 89.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 109.947 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 207' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 204' ' ' GLN . 10.3 mtt180 -68.23 -52.64 31.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.597 1.185 . . . . 0.0 110.353 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 208' ' ' LEU . . . . . 0.7 ' C ' HD12 ' A' ' 208' ' ' LEU . 0.4 OUTLIER -67.83 -31.5 71.39 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.564 1.165 . . . . 0.0 109.312 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 209' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 205' ' ' ILE . 38.9 ttm180 -62.84 -61.37 2.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.42 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 23.6 ttt-85 -55.35 -24.93 32.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 1.8 ttp -63.62 -56.89 12.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 212' ' ' VAL . . . . . 0.865 HG12 ' HE1' ' A' ' 152' ' ' MET . 21.3 m -79.55 -25.89 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.577 ' HG2' HG23 ' A' ' 212' ' ' VAL . 31.5 mm-40 -109.79 -147.32 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 110.252 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . 0.403 ' CG ' ' O ' ' A' ' 213' ' ' GLU . 60.3 mt-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.836 0 N-CA-C 111.017 -0.417 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -156.2 -51.66 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 110.343 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.457 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 22.5 m-85 -96.86 21.39 9.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 222' ' ' ILE . . . . . 0.674 HD11 HD11 ' A' ' 208' ' ' LEU . 7.8 mt -154.79 116.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.416 1.072 . . . . 0.0 109.38 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 223' ' ' GLN . . . . . 0.619 ' O ' HG12 ' A' ' 231' ' ' VAL . 2.1 mt-30 -122.93 95.96 4.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 1.6 m -73.85 143.4 45.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.456 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 225' ' ' VAL . . . . . 0.596 HG22 ' H ' ' A' ' 228' ' ' LEU . 0.2 OUTLIER -149.92 110.41 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 28.8 m95 -55.06 -40.98 70.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 108.003 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -55.38 -21.79 28.17 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.635 1.21 . . . . 0.0 111.046 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . 0.634 HD13 ' CB ' ' A' ' 179' ' ' PRO . 23.0 mt -123.95 -81.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.779 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 229' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 172.65 -82.89 0.08 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 230' ' ' TYR . . . . . 0.667 ' CE2' HG21 ' A' ' 201' ' ' ILE . 87.3 m-85 -155.64 123.27 5.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 0.768 . . . . 0.0 111.079 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 231' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 223' ' ' GLN . 1.3 p -119.39 163.39 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.457 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 5.3 t80 -136.43 107.89 6.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 111.023 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 98.2 t -111.97 96.95 36.3 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 234' ' ' PRO . . . . . 0.443 ' HA ' ' CD1' ' A' ' 221' ' ' TYR . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.112 0 O-C-N 124.45 1.763 . . . . 0.0 110.936 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.5 HG23 ' N ' ' A' ' 138' ' ' ILE . 1.4 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.214 -0.661 . . . . 0.0 109.214 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.663 HG22 ' CE1' ' A' ' 140' ' ' PHE . 2.5 mp -134.99 113.32 15.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.445 1.091 . . . . 0.0 109.217 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.736 ' HB2' ' HG2' ' A' ' 144' ' ' LYS . . . -119.76 159.96 23.52 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.663 ' CE1' HG22 ' A' ' 138' ' ' ILE . 4.4 m-85 -132.34 -177.75 4.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -30.53 -80.96 0.01 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.537 ' C ' ' CD1' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -110.48 46.14 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.599 ' CD1' ' N ' ' A' ' 143' ' ' PHE . 0.6 OUTLIER -146.6 168.22 21.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.393 1.058 . . . . 0.0 110.978 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.736 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -160.17 116.16 2.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.749 HD12 ' HG3' ' A' ' 152' ' ' MET . 1.4 tt -121.87 154.02 37.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.418 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 63.8 t-20 -159.86 118.41 2.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.589 1.181 . . . . 0.0 109.31 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.557 ' HA ' ' CE2' ' A' ' 166' ' ' PHE . 1.3 mp -78.48 -45.87 21.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.365 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -58.12 -19.53 38.94 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.443 1.089 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 15.8 m -112.03 -22.27 11.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 0.718 . . . . 0.0 110.374 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 57.88 45.55 18.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.166 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -143.65 114.51 7.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.374 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.749 ' HG3' HD12 ' A' ' 145' ' ' LEU . 0.0 OUTLIER -123.78 145.65 48.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.61 1.194 . . . . 0.0 111.059 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.428 ' N ' ' HG2' ' A' ' 152' ' ' MET . 0.0 OUTLIER -144.1 172.45 12.87 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 0.0 111.063 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . 0.523 ' HG3' ' CD2' ' A' ' 143' ' ' PHE . 0.8 OUTLIER -160.18 122.95 3.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 0.0 110.357 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 53.43 51.04 16.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.24 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 62.73 31.6 16.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 6.3 tt0 -126.02 98.51 33.18 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 147.11 33.5 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.471 1.774 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . 0.419 ' HA ' ' HD3' ' A' ' 160' ' ' PRO . 0.4 OUTLIER -160.12 135.85 6.03 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.508 1.13 . . . . 0.0 110.951 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 159' ' ' MET . 18.2 Cg_endo -75.02 -175.89 2.6 Favored 'Trans proline' 0 C--N 1.362 1.244 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 5.0 mt -142.96 109.51 5.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.179 . . . . 0.0 109.29 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 29.6 m -50.52 151.45 2.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.461 1.1 . . . . 0.0 110.342 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 32.9 m -47.61 -31.37 4.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.942 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.739 ' O ' HG23 ' A' ' 168' ' ' VAL . . . -73.81 -53.29 7.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.349 1.031 . . . . 0.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.565 ' HG3' HD21 ' A' ' 208' ' ' LEU . 1.2 mp0 -58.12 -63.47 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 110.307 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.557 ' CE2' ' HA ' ' A' ' 147' ' ' LEU . 6.0 t80 -46.47 -50.77 16.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.088 . . . . 0.0 111.028 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -62.46 -53.36 56.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 164' ' ' GLY . 43.0 t -52.58 -61.04 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.533 1.145 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 1.7 tt -57.5 -35.7 70.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 174' ' ' SER . 13.3 ttpp -59.44 -37.45 78.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -75.78 -35.17 60.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 109.309 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.626 HD11 ' CD1' ' A' ' 205' ' ' ILE . 1.8 mt -70.74 -57.63 4.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.385 1.053 . . . . 0.0 109.376 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.421 HG21 HD13 ' A' ' 138' ' ' ILE . 0.5 OUTLIER -66.43 -11.77 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.377 1.048 . . . . 0.0 109.208 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 170' ' ' LYS . 0.4 OUTLIER -71.9 -35.6 69.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.396 1.06 . . . . 0.0 110.019 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -121.36 85.34 42.36 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.619 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 176' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 232' ' ' PHE . 18.5 Cg_endo -74.96 57.76 4.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 111.043 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.445 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 6.3 mtp180 162.8 -49.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.238 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.21 114.3 28.19 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.232 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 179' ' ' PRO . . . . . 0.624 ' HG2' HD22 ' A' ' 228' ' ' LEU . 18.0 Cg_endo -74.99 160.61 39.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.516 HD22 ' HB3' ' A' ' 184' ' ' LYS . 37.9 mt -143.74 140.54 30.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 91.5 p -69.18 156.55 38.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.17 -38.38 17.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.329 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -73.29 -47.75 40.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.374 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 184' ' ' LYS . . . . . 0.516 ' HB3' HD22 ' A' ' 180' ' ' LEU . 6.1 mmtt -61.02 -15.42 31.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.364 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.609 HD21 ' HB2' ' A' ' 230' ' ' TYR . 0.9 OUTLIER -75.87 -64.51 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -66.05 -17.82 64.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -79.9 -60.6 2.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.58 1.175 . . . . 0.0 109.361 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.542 0 O-C-N 124.57 1.169 . . . . 0.0 109.327 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.464 ' CG2' ' CE2' ' A' ' 230' ' ' TYR . 0.8 OUTLIER -43.81 -53.87 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.592 1.182 . . . . 0.0 109.238 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 202' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 201' ' ' ILE . 1.1 t70 -39.99 -69.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 74.9 t -57.42 -55.26 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 204' ' ' GLN . . . . . 0.776 ' O ' HD23 ' A' ' 208' ' ' LEU . 3.1 mt-30 -43.46 -30.86 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.626 ' CD1' HD11 ' A' ' 172' ' ' LEU . 18.2 mm -80.31 -56.18 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 8.1 m -49.13 -43.55 41.67 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 207' ' ' ARG . . . . . 0.412 ' HB2' ' NH1' ' A' ' 207' ' ' ARG . 1.8 ptp180 -72.86 -29.39 63.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 208' ' ' LEU . . . . . 0.776 HD23 ' O ' ' A' ' 204' ' ' GLN . 0.7 OUTLIER -65.98 -30.13 70.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 209' ' ' ARG . . . . . 0.474 HH21 ' HG3' ' A' ' 219' ' ' PRO . 7.1 mtp180 -74.2 -58.99 2.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.29 -26.58 0.83 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.55 1.157 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 43.4 mtp -67.95 -60.66 2.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.378 1.049 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 212' ' ' VAL . . . . . 0.592 ' O ' ' CE2' ' A' ' 143' ' ' PHE . 28.1 m -72.72 -40.8 61.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.207 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.455 ' CD ' HG23 ' A' ' 212' ' ' VAL . 0.0 OUTLIER -135.86 105.92 6.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.594 1.184 . . . . 0.0 110.244 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.956 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 219' ' ' PRO . . . . . 0.474 ' HG3' HH21 ' A' ' 209' ' ' ARG . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 111.061 -0.4 . . . . 0.0 111.061 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.61 -60.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.45 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.557 ' O ' ' CD1' ' A' ' 232' ' ' PHE . 30.5 m-85 -91.35 20.59 5.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.098 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 222' ' ' ILE . . . . . 0.571 HG12 ' CE1' ' A' ' 232' ' ' PHE . 21.2 mt -152.49 119.3 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 223' ' ' GLN . . . . . 0.535 ' O ' HG12 ' A' ' 231' ' ' VAL . 4.9 mm-40 -119.62 104.22 10.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 45.3 m -76.13 133.63 40.2 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.397 1.061 . . . . 0.0 110.376 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 225' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 229' ' ' GLY . 0.0 OUTLIER -137.54 107.31 4.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -52.86 -43.21 65.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 108.073 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -59.76 -22.96 58.17 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.456 1.097 . . . . 0.0 110.943 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . 0.624 HD22 ' HG2' ' A' ' 179' ' ' PRO . 5.7 mt -117.56 -87.21 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 0.799 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 229' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 173.5 -83.51 0.08 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 230' ' ' TYR . . . . . 0.609 ' HB2' HD21 ' A' ' 185' ' ' LEU . 75.2 m-85 -154.22 119.32 5.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 0.796 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 231' ' ' VAL . . . . . 0.617 HG22 ' H ' ' A' ' 232' ' ' PHE . 9.7 p -119.77 174.53 4.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.572 1.17 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.617 ' H ' HG22 ' A' ' 231' ' ' VAL . 0.7 OUTLIER -128.49 103.9 7.39 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 73.5 t -102.03 107.51 52.84 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.575 1.172 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.215 0 O-C-N 124.453 1.765 . . . . 0.0 111.039 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.683 HG12 ' CG ' ' A' ' 146' ' ' ASN . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.685 HG22 ' CE1' ' A' ' 140' ' ' PHE . 3.7 mp -140.4 113.34 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.606 ' HB2' ' HG2' ' A' ' 144' ' ' LYS . . . -123.47 165.46 17.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.369 1.043 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.685 ' CE1' HG22 ' A' ' 138' ' ' ILE . 6.3 m-85 -143.18 -178.02 5.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 111.077 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.564 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -22.95 -80.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.606 ' HG2' ' CE1' ' A' ' 143' ' ' PHE . 0.3 OUTLIER -114.26 42.82 2.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.606 ' CE1' ' HG2' ' A' ' 142' ' ' LYS . 17.2 m-85 -137.78 163.21 31.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.941 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.606 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -161.05 107.46 1.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.376 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.494 ' CD1' HD11 ' A' ' 161' ' ' LEU . 1.1 tp -120.03 148.01 44.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.683 ' CG ' HG12 ' A' ' 137' ' ' VAL . 54.7 t-20 -152.28 116.59 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.362 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.979 HD13 ' HG2' ' A' ' 170' ' ' LYS . 7.7 mt -79.04 -34.91 43.41 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -57.33 -24.95 53.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.13 . . . . 0.0 111.084 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 16.6 m -119.5 -7.14 10.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.751 . . . . 0.0 110.383 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 52.94 50.82 17.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.364 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -143.92 115.8 8.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.381 1.051 . . . . 0.0 110.37 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.465 ' HB2' ' CD1' ' A' ' 145' ' ' LEU . 13.1 ttt -128.12 143.45 51.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 152' ' ' MET . 0.1 OUTLIER -137.61 169.88 17.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 154' ' ' ARG . 17.4 ptt85 -154.9 117.7 4.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 57.46 52.23 8.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.248 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 15.7 t0 63.48 23.48 13.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -122.67 99.14 42.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.405 ' HB3' ' CD1' ' A' ' 153' ' ' PHE . 18.3 Cg_endo -74.92 150.79 39.1 Favored 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.423 1.749 . . . . 0.0 111.017 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.07 144.59 10.87 Favored Pre-proline 0 C--N 1.327 -0.405 0 O-C-N 124.436 1.085 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -171.24 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.544 1.813 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.494 HD11 ' CD1' ' A' ' 145' ' ' LEU . 2.0 mt -140.63 128.55 21.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.222 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 56.5 m -72.95 155.18 40.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.363 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 167' ' ' ALA . 0.9 OUTLIER -51.56 -43.18 62.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.979 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.582 ' O ' HG23 ' A' ' 168' ' ' VAL . . . -65.07 -51.39 51.16 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.5 -68.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 0.709 . . . . 0.0 110.297 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.566 ' CE1' HD23 ' A' ' 147' ' ' LEU . 20.0 t80 -43.32 -49.22 6.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 163' ' ' SER . . . -62.41 -57.93 9.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 164' ' ' GLY . 14.9 t -47.43 -54.61 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.167 . . . . 0.0 109.359 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 170' ' ' LYS . 6.0 tp -61.6 -51.81 66.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . 0.979 ' HG2' HD13 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -39.97 -43.71 1.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -62.01 -54.79 36.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.427 1.079 . . . . 0.0 109.289 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.4 HD22 ' HB2' ' A' ' 232' ' ' PHE . 0.4 OUTLIER -57.95 -45.38 86.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.449 HG11 HD11 ' A' ' 138' ' ' ILE . 2.6 t -70.43 -19.93 22.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.441 1.088 . . . . 0.0 109.346 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 170' ' ' LYS . 30.3 t -81.1 -14.1 58.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 110.068 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.04 86.19 4.92 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.628 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 131.27 14.19 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.553 1.817 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 72.85 11.5 5.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.424 ' N ' HG23 ' A' ' 231' ' ' VAL . 1.9 mm-40 -112.86 99.13 47.4 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 110.219 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 179' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.16 133.73 16.7 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.452 1.764 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.683 ' O ' HD13 ' A' ' 185' ' ' LEU . 5.8 mt -135.47 132.58 37.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 73.6 p -47.26 161.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.459 1.1 . . . . 0.0 110.044 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . 0.444 ' CG ' ' HB ' ' A' ' 201' ' ' ILE . 8.4 tmm_? -53.28 -31.55 44.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.98 -56.86 4.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 184' ' ' LYS . . . . . 0.671 ' HB3' HD22 ' A' ' 180' ' ' LEU . 45.8 mmtt -51.98 -25.01 7.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.887 HD23 HD12 ' A' ' 201' ' ' ILE . 0.3 OUTLIER -67.98 -65.82 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.255 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 13.0 ptm -58.6 -21.28 52.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -69.72 -46.22 66.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.618 1.199 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 200' ' ' SER . . . . . 0.473 ' HB3' HG23 ' A' ' 203' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.887 HD12 HD23 ' A' ' 185' ' ' LEU . 16.4 mm -54.0 -65.36 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.58 -53.18 2.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.387 1.055 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 203' ' ' VAL . . . . . 0.473 HG23 ' HB3' ' A' ' 200' ' ' SER . 86.6 t -50.71 -63.17 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.365 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 204' ' ' GLN . . . . . 0.415 ' NE2' ' HA3' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -53.11 -53.97 42.5 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.676 HG22 ' HE ' ' A' ' 209' ' ' ARG . 27.7 mm -41.47 -49.92 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 8.4 t -55.33 -46.65 76.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.077 . . . . 0.0 109.996 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -68.71 -35.61 77.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.428 1.08 . . . . 0.0 110.327 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 208' ' ' LEU . . . . . 0.6 ' O ' HG22 ' A' ' 212' ' ' VAL . 12.7 mt -70.77 -32.05 69.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 209' ' ' ARG . . . . . 0.676 ' HE ' HG22 ' A' ' 205' ' ' ILE . 40.5 mtm180 -65.09 -50.62 65.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.383 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.92 -16.84 63.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 14.9 mtp -78.47 -57.76 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 111.046 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 212' ' ' VAL . . . . . 0.612 HG23 ' HG2' ' A' ' 213' ' ' GLU . 27.0 m -75.75 -28.11 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.365 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.612 ' HG2' HG23 ' A' ' 212' ' ' VAL . 0.6 OUTLIER -123.06 -148.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 110.272 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.948 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.454 -0.843 0 N-CA-C 111.056 -0.401 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 220' ' ' ARG . . . . . 0.45 ' N ' ' OE1' ' A' ' 213' ' ' GLU . 0.1 OUTLIER -143.93 -51.69 0.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 1.144 . . . . 0.0 110.349 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 232' ' ' PHE . 54.0 m-85 -89.64 21.12 3.62 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.591 1.182 . . . . 0.0 111.02 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 222' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 222' ' ' ILE . 26.3 mm -148.05 116.33 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 223' ' ' GLN . . . . . 0.414 ' O ' HG12 ' A' ' 231' ' ' VAL . 1.5 mm-40 -119.79 94.65 4.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 110.353 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 91.3 m -79.05 112.7 16.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.462 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 225' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 229' ' ' GLY . 2.4 t -106.09 95.54 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -60.01 -20.5 58.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 108.045 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -80.58 -19.87 67.51 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . 0.415 HD12 HG11 ' A' ' 225' ' ' VAL . 0.7 OUTLIER -125.3 -73.23 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 0.753 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 229' ' ' GLY . . . . . 0.61 ' C ' ' CD1' ' A' ' 230' ' ' TYR . . . -177.58 -102.18 0.15 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.138 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 230' ' ' TYR . . . . . 0.622 ' CE2' HG22 ' A' ' 201' ' ' ILE . 21.0 m-85 -151.89 121.39 6.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 0.772 . . . . 0.0 110.998 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 231' ' ' VAL . . . . . 0.608 HG22 ' H ' ' A' ' 232' ' ' PHE . 9.9 p -119.08 174.02 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.395 1.06 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.608 ' H ' HG22 ' A' ' 231' ' ' VAL . 5.8 t80 -136.77 109.26 7.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 81.2 t -113.49 94.75 33.38 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.141 . . . . 0.0 109.25 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo . . . . . 0 C--N 1.361 1.196 0 O-C-N 124.431 1.753 . . . . 0.0 111.038 179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.469 HG23 ' N ' ' A' ' 138' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.668 ' HB ' HD22 ' A' ' 145' ' ' LEU . 3.3 mp -139.41 115.26 8.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.45 1.094 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.542 ' HB2' ' HG2' ' A' ' 144' ' ' LYS . . . -119.8 158.52 26.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.634 ' CD1' ' N ' ' A' ' 140' ' ' PHE . 0.3 OUTLIER -134.11 -177.91 4.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.406 1.066 . . . . 0.0 111.055 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -34.53 -79.88 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.13 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.626 ' C ' ' CD1' ' A' ' 143' ' ' PHE . 27.7 mttp -110.92 49.65 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 0.769 . . . . 0.0 109.206 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.626 ' CD1' ' C ' ' A' ' 142' ' ' LYS . 0.8 OUTLIER -152.52 168.78 24.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.956 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.542 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 0.2 OUTLIER -160.57 116.55 2.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.77 HD21 ' CD2' ' A' ' 147' ' ' LEU . 1.7 tt -123.9 159.42 29.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.639 ' N ' HD23 ' A' ' 145' ' ' LEU . 35.9 t-20 -160.4 114.22 2.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.36 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.77 ' CD2' HD21 ' A' ' 145' ' ' LEU . 7.8 mt -75.98 -41.1 52.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.234 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . 0.426 ' N ' ' OD1' ' A' ' 146' ' ' ASN . . . -60.69 -18.62 52.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.542 1.151 . . . . 0.0 111.06 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 75.7 m -117.11 -9.09 11.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.594 0.82 . . . . 0.0 110.447 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 49.61 52.07 15.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.568 1.168 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.95 123.57 6.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.562 ' C ' ' CD1' ' A' ' 153' ' ' PHE . 13.6 ttt -131.0 152.86 49.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.634 1.209 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -143.32 159.88 41.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 111.023 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.59 116.45 5.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 68.48 54.61 0.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 110.241 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 50.42 59.08 4.83 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -152.13 102.11 2.81 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 130.83 13.65 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.464 1.771 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . 0.403 ' HA ' ' HD3' ' A' ' 160' ' ' PRO . 0.0 OUTLIER -159.48 136.82 7.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 159' ' ' MET . 18.5 Cg_endo -75.0 -163.49 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.438 1.757 . . . . 0.0 111.058 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.511 HD12 ' HB2' ' A' ' 166' ' ' PHE . 0.3 OUTLIER -160.08 129.91 5.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.584 1.178 . . . . 0.0 109.329 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 4.2 p -43.89 167.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.548 1.155 . . . . 0.0 110.382 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 17.7 m -67.61 -55.22 14.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.983 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -46.17 -47.68 15.48 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.534 1.146 . . . . 0.0 110.971 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.578 ' HB3' HD21 ' A' ' 208' ' ' LEU . 39.5 mt-10 -58.58 -49.18 78.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 0.748 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.511 ' HB2' HD12 ' A' ' 161' ' ' LEU . 4.5 t80 -61.9 -51.32 68.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -54.48 -62.13 1.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 109.208 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.634 ' O ' ' HB3' ' A' ' 171' ' ' ALA . 71.3 t -50.75 -60.21 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.42 1.075 . . . . 0.0 109.35 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.601 HD13 HD22 ' A' ' 208' ' ' LEU . 4.2 tp -48.02 -57.62 5.53 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . 0.706 ' CG ' HD13 ' A' ' 147' ' ' LEU . 0.4 OUTLIER -54.04 -35.51 62.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 168' ' ' VAL . . . -60.4 -42.17 95.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.225 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.403 ' CD2' ' HB2' ' A' ' 232' ' ' PHE . 0.3 OUTLIER -76.15 -37.44 57.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.658 HG22 ' CE2' ' A' ' 232' ' ' PHE . 53.8 t -80.09 -0.95 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.423 1.077 . . . . 0.0 109.34 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 170' ' ' LYS . 0.8 OUTLIER -96.4 -22.25 17.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.944 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -121.89 87.4 46.78 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.586 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 122.93 7.52 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.523 1.802 . . . . 0.0 111.08 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 16.2 ttt-85 63.33 35.04 12.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.33 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -135.83 100.53 10.94 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.345 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 179' ' ' PRO . . . . . 0.458 ' CG ' ' HG ' ' A' ' 228' ' ' LEU . 18.1 Cg_endo -75.03 138.56 23.11 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.553 1.817 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 27.3 mt -143.49 134.14 25.05 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 0.0 109.429 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 181' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 184' ' ' LYS . 45.9 p -59.48 146.4 40.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . 0.573 ' HB3' ' CE1' ' A' ' 230' ' ' TYR . 0.0 OUTLIER -44.94 -33.37 1.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . 0.525 ' N ' ' CD ' ' A' ' 182' ' ' ARG . 2.9 t70 -64.31 -42.42 96.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 184' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 181' ' ' SER . 0.0 OUTLIER -62.09 -48.66 79.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.68 HD22 HD12 ' A' ' 201' ' ' ILE . 4.0 mp -44.49 -47.47 10.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.22 -52.28 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -48.97 -31.29 7.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 4.4 tp . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.967 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 200' ' ' SER . . . . . 0.423 ' O ' ' CG ' ' A' ' 204' ' ' GLN . 18.7 t . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.68 HD12 HD22 ' A' ' 185' ' ' LEU . 1.4 mm -98.99 -60.99 2.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.9 -33.82 1.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.574 1.171 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 203' ' ' VAL . . . . . 0.424 ' CG1' ' N ' ' A' ' 204' ' ' GLN . 0.4 OUTLIER -80.1 -44.94 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 204' ' ' GLN . . . . . 0.424 ' N ' ' CG1' ' A' ' 203' ' ' VAL . 17.4 mm-40 -57.95 -61.95 2.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.424 ' O ' ' CG ' ' A' ' 209' ' ' ARG . 1.8 pt -49.55 -34.73 8.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 3.3 m -67.58 -38.72 84.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.971 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -80.31 -25.39 39.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.322 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 208' ' ' LEU . . . . . 0.601 HD22 HD13 ' A' ' 169' ' ' LEU . 54.8 mt -77.02 -49.85 14.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 209' ' ' ARG . . . . . 0.495 ' HB3' HD12 ' A' ' 222' ' ' ILE . 0.1 OUTLIER -62.7 -28.63 70.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -36.2 71.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.358 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 1.4 mmm -65.17 -45.68 83.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 111.088 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 212' ' ' VAL . . . . . 0.79 HG23 ' HG2' ' A' ' 213' ' ' GLU . 29.7 m -80.18 -28.51 12.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.375 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.79 ' HG2' HG23 ' A' ' 212' ' ' VAL . 36.6 mm-40 -113.2 -147.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.957 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo . . . . . 0 N--CA 1.453 -0.865 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.87 -60.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 110.269 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.48 ' CD2' ' HA ' ' A' ' 234' ' ' PRO . 44.4 m-85 -87.94 21.87 2.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.11 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 222' ' ' ILE . . . . . 0.495 HD12 ' HB3' ' A' ' 209' ' ' ARG . 14.0 mt -150.62 115.91 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.206 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -121.0 91.85 3.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.372 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 224' ' ' THR . . . . . 0.413 ' OG1' ' CD1' ' A' ' 205' ' ' ILE . 98.3 m -72.86 112.42 8.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.484 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 225' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 229' ' ' GLY . 3.0 t -105.08 125.97 60.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 109.366 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -74.21 -34.22 63.63 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -76.79 -19.52 77.61 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . 0.479 HD13 ' HA ' ' A' ' 228' ' ' LEU . 0.2 OUTLIER -114.54 -76.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.78 . . . . 0.0 109.249 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 229' ' ' GLY . . . . . 0.572 ' C ' ' CD1' ' A' ' 230' ' ' TYR . . . 162.96 -87.84 0.1 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 230' ' ' TYR . . . . . 0.652 ' CE2' HG22 ' A' ' 201' ' ' ILE . 37.2 m-85 -149.84 118.38 6.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.404 0.708 . . . . 0.0 111.013 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 1.4 p -119.62 155.56 22.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.658 ' CE2' HG22 ' A' ' 173' ' ' VAL . 42.2 t80 -122.59 100.86 7.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 96.3 t -110.96 98.49 38.84 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 109.215 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 234' ' ' PRO . . . . . 0.48 ' HA ' ' CD2' ' A' ' 221' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.174 0 O-C-N 124.451 1.764 . . . . 0.0 110.999 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.684 HG12 ' CG ' ' A' ' 146' ' ' ASN . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.556 HD13 HG11 ' A' ' 173' ' ' VAL . 3.0 mp -146.11 115.14 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.717 ' HB2' ' HG2' ' A' ' 144' ' ' LYS . . . -122.81 159.88 27.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.583 ' O ' ' C ' ' A' ' 141' ' ' GLY . 6.2 m-85 -134.93 -176.77 4.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.583 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -21.14 -83.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.549 1.155 . . . . 0.0 110.992 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.56 31.33 6.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 0.735 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.588 ' CD2' ' HG3' ' A' ' 154' ' ' ARG . 1.9 m-85 -122.66 166.05 15.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.717 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 0.1 OUTLIER -160.78 110.41 1.7 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.459 1.1 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.769 HD12 ' SD ' ' A' ' 152' ' ' MET . 1.4 tt -120.79 151.25 39.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.717 ' N ' HD23 ' A' ' 145' ' ' LEU . 52.9 t-20 -155.54 121.02 4.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.879 HD13 ' HG2' ' A' ' 170' ' ' LYS . 16.1 mt -80.41 -38.01 31.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -57.83 -27.03 58.74 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.539 1.149 . . . . 0.0 111.094 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 61.0 m -113.37 -15.94 12.56 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.514 0.773 . . . . 0.0 110.404 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 150' ' ' ARG . 9.1 ttp-105 57.89 48.78 12.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 1.067 . . . . 0.0 110.247 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -139.93 112.2 7.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 110.251 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.769 ' SD ' HD12 ' A' ' 145' ' ' LEU . 23.4 ttt -121.37 141.23 51.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 111.064 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 144' ' ' LYS . 0.7 OUTLIER -156.89 167.45 30.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . 0.588 ' HG3' ' CD2' ' A' ' 143' ' ' PHE . 3.5 ttt180 -156.44 113.29 3.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 67.4 57.97 0.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 15.4 t0 53.48 63.44 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 153' ' ' PHE . 3.6 tp10 -151.94 98.93 2.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.424 ' HA ' ' HB3' ' A' ' 153' ' ' PHE . 18.2 Cg_endo -74.99 121.32 6.51 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.787 . . . . 0.0 110.974 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.61 117.91 21.26 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 154.19 42.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.428 1.752 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.94 137.13 54.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 85.5 m -86.76 156.29 19.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 110.442 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 29.1 p -49.68 -54.24 19.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.036 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.417 ' O ' HG23 ' A' ' 168' ' ' VAL . . . -50.68 -56.39 13.74 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.602 1.189 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.793 ' HB3' HD21 ' A' ' 208' ' ' LEU . 0.9 OUTLIER -60.63 -68.51 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 0.74 . . . . 0.0 110.314 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.575 ' CE1' ' HG3' ' A' ' 170' ' ' LYS . 1.5 t80 -40.67 -42.75 1.79 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.416 1.073 . . . . 0.0 111.016 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -63.99 -44.44 92.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.358 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 165' ' ' GLU . 10.3 t -60.47 -59.93 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 1.7 tp -58.33 -27.42 64.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.174 . . . . 0.0 109.338 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . 0.879 ' HG2' HD13 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -60.65 -65.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.394 1.059 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -44.66 -52.58 8.08 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.552 1.157 . . . . 0.0 109.382 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.453 ' CD2' ' HB2' ' A' ' 232' ' ' PHE . 0.3 OUTLIER -55.81 -53.59 54.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.556 HG11 HD13 ' A' ' 138' ' ' ILE . 35.3 t -65.58 -11.32 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 170' ' ' LYS . 0.6 OUTLIER -83.92 -10.31 58.06 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.394 1.059 . . . . 0.0 110.028 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . 0.421 ' CD2' ' O ' ' A' ' 174' ' ' SER . 6.3 m170 -151.28 89.97 4.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.619 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 125.34 9.25 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 71.53 42.17 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.254 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -145.44 101.15 4.37 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.462 1.101 . . . . 0.0 110.35 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 179' ' ' PRO . . . . . 0.885 ' CG ' HD13 ' A' ' 228' ' ' LEU . 18.3 Cg_endo -74.99 146.84 33.16 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.492 1.785 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.57 136.8 24.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 181' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 184' ' ' LYS . 5.0 t -52.28 142.71 16.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . 0.443 ' NH1' ' HB2' ' A' ' 182' ' ' ARG . 0.0 OUTLIER -47.16 -29.21 2.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.302 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.24 -39.61 71.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.235 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 184' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 181' ' ' SER . 6.4 mmtt -77.13 -14.22 59.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.724 HD12 HG12 ' A' ' 201' ' ' ILE . 0.2 OUTLIER -69.69 -66.77 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 17.2 ptm -60.34 -26.49 66.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.16 -60.71 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.197 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.6 tp . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.893 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 1.6 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.724 HG12 HD12 ' A' ' 185' ' ' LEU . 2.9 mp -70.24 -61.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 202' ' ' ASP . . . . . 0.444 ' N ' ' OH ' ' A' ' 230' ' ' TYR . 0.8 OUTLIER -40.61 -35.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 79.8 t -78.77 -46.46 24.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 204' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 201' ' ' ILE . 1.8 mt-30 -60.75 -58.91 6.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.867 HD12 ' CG2' ' A' ' 222' ' ' ILE . 6.8 pt -52.64 -32.53 17.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 109.348 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . 0.415 ' N ' HG13 ' A' ' 205' ' ' ILE . 1.6 m -67.7 -51.19 52.41 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.438 1.086 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -63.01 -38.63 91.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 208' ' ' LEU . . . . . 0.793 HD21 ' HB3' ' A' ' 165' ' ' GLU . 75.6 mt -66.85 -30.85 71.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.214 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 209' ' ' ARG . . . . . 0.832 HH21 HG21 ' A' ' 212' ' ' VAL . 8.2 mmp_? -80.03 -50.75 9.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.401 1.063 . . . . 0.0 110.27 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -43.58 -34.97 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -54.71 -59.5 4.64 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.55 1.156 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 212' ' ' VAL . . . . . 0.832 HG21 HH21 ' A' ' 209' ' ' ARG . 26.2 m -79.91 -47.05 22.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 109.37 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.434 ' N ' HG23 ' A' ' 212' ' ' VAL . 11.5 mm-40 -90.64 84.82 5.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.221 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.97 0 N-CA-C 111.078 -0.393 . . . . 0.0 111.078 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 220' ' ' ARG . . . . . 0.533 ' HG2' ' CE1' ' A' ' 221' ' ' TYR . 7.7 tpm_? -151.65 -71.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.561 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 56.2 m-85 -92.42 20.6 6.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 222' ' ' ILE . . . . . 0.867 ' CG2' HD12 ' A' ' 205' ' ' ILE . 16.0 mm -148.04 117.02 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 223' ' ' GLN . . . . . 0.481 ' O ' HG23 ' A' ' 225' ' ' VAL . 2.5 mm-40 -119.67 92.08 3.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.605 1.19 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 224' ' ' THR . . . . . 0.582 ' OG1' HD11 ' A' ' 205' ' ' ILE . 54.2 m -67.71 112.15 4.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 0.0 110.388 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 225' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 229' ' ' GLY . 37.6 t -112.93 136.65 48.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.374 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -72.72 -71.79 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -40.01 -33.37 0.45 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.417 1.073 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . 0.885 HD13 ' CG ' ' A' ' 179' ' ' PRO . 7.2 mt -97.99 -85.05 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.742 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 229' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 161.01 -84.77 0.12 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 230' ' ' TYR . . . . . 0.59 ' CD2' ' HG ' ' A' ' 185' ' ' LEU . 38.5 m-85 -142.23 116.52 9.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 0.731 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -119.63 146.98 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.406 1.066 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 4.4 t80 -119.7 99.33 6.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.52 1.137 . . . . 0.0 111.083 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 76.8 t -108.32 101.86 44.15 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 234' ' ' PRO . . . . . 0.471 ' HA ' ' CD2' ' A' ' 221' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.465 1.771 . . . . 0.0 110.976 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.519 ' CG1' ' HB2' ' A' ' 146' ' ' ASN . 1.4 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 145' ' ' LEU . 3.6 mp -123.69 100.89 8.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.568 1.167 . . . . 0.0 109.274 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.763 ' HB2' ' HB2' ' A' ' 144' ' ' LYS . . . -120.32 135.35 55.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.335 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.451 ' CD2' ' CE2' ' A' ' 221' ' ' TYR . 4.2 p90 -157.04 79.99 0.92 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 129.33 -99.37 0.47 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 154' ' ' ARG . 1.2 mptt -133.67 9.93 3.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 0.806 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.92 153.65 48.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.763 ' HB2' ' HB2' ' A' ' 139' ' ' ALA . 0.1 OUTLIER -141.16 138.19 33.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.755 HD13 HD13 ' A' ' 169' ' ' LEU . 0.8 OUTLIER -123.65 132.09 53.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.399 1.062 . . . . 0.0 109.267 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.519 ' HB2' ' CG1' ' A' ' 137' ' ' VAL . 28.8 t-20 -134.21 112.18 10.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 166' ' ' PHE . 15.6 mt -76.34 -41.7 47.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.172 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -54.19 -25.49 32.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.12 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 20.8 m -119.04 -7.16 10.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 0.764 . . . . 0.0 110.401 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 150' ' ' ARG . 0.0 OUTLIER 45.8 53.91 8.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.644 1.215 . . . . 0.0 110.32 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.458 ' HB3' ' CE2' ' A' ' 153' ' ' PHE . 7.3 mm-40 -144.75 116.01 7.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.157 . . . . 0.0 110.297 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.471 ' O ' ' N ' ' A' ' 159' ' ' MET . 8.6 ttt -119.28 144.57 46.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 111.082 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.553 ' CD1' ' N ' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -156.45 151.6 26.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.934 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . 0.542 ' O ' ' CB ' ' A' ' 155' ' ' GLU . 0.0 OUTLIER -127.12 103.67 7.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . 0.542 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 5.7 tt0 89.2 -32.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.312 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.434 ' CB ' ' O ' ' A' ' 155' ' ' GLU . 0.9 OUTLIER 160.7 -28.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 1.3 mt-10 -62.45 125.41 85.85 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.389 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.86 147.41 34.56 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.552 1.817 . . . . 0.0 111.036 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . 0.471 ' N ' ' O ' ' A' ' 152' ' ' MET . 20.0 mtp -140.33 105.11 6.56 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . 0.431 ' HA ' HH21 ' A' ' 150' ' ' ARG . 18.3 Cg_endo -74.91 147.13 33.9 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.411 1.743 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 4.5 mt -121.94 132.96 54.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.38 1.05 . . . . 0.0 109.232 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . 0.512 HG22 ' N ' ' A' ' 163' ' ' SER . 32.7 m -78.38 171.56 14.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.539 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.512 ' N ' HG22 ' A' ' 162' ' ' THR . 57.9 m -56.31 -50.65 70.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 109.945 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.602 ' O ' HG23 ' A' ' 168' ' ' VAL . . . -63.98 -44.98 95.16 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.53 1.144 . . . . 0.0 111.073 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 168' ' ' VAL . 70.4 mt-10 -57.5 -65.97 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.397 0.704 . . . . 0.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.553 ' CE1' ' HG3' ' A' ' 170' ' ' LYS . 2.5 t80 -44.93 -28.18 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 111.071 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -77.46 -41.59 39.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.884 HG22 HD13 ' A' ' 201' ' ' ILE . 71.2 t -62.36 -59.61 4.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.755 HD13 HD13 ' A' ' 145' ' ' LEU . 1.6 mt -58.88 -24.16 61.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . 0.553 ' HG3' ' CE1' ' A' ' 166' ' ' PHE . 0.0 OUTLIER -62.3 -67.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.368 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 175' ' ' HIS . . . -50.29 -45.58 54.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.153 . . . . 0.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.567 HD11 ' HB3' ' A' ' 230' ' ' TYR . 1.1 tp -61.22 -43.24 99.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.402 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 169' ' ' LEU . 61.0 t -80.0 -1.7 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.374 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 170' ' ' LYS . 1.0 OUTLIER -123.47 11.82 9.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 171' ' ' ALA . 10.4 m-70 -123.17 76.07 51.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.567 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 103.07 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.547 1.814 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.405 ' HB3' ' NH1' ' A' ' 177' ' ' ARG . 16.3 ttm105 56.6 48.37 16.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.343 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.417 ' H ' HG23 ' A' ' 231' ' ' VAL . 1.4 tm-20 -156.0 92.53 2.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 179' ' ' PRO . . . . . 0.573 ' HG2' HD13 ' A' ' 228' ' ' LEU . 18.4 Cg_endo -74.93 144.23 30.25 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.57 1.826 . . . . 0.0 111.045 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 180' ' ' LEU . 2.7 tp -142.74 137.98 30.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.239 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 181' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 184' ' ' LYS . 3.6 m -48.22 137.19 11.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.038 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . 0.674 ' HA ' HD13 ' A' ' 185' ' ' LEU . 0.1 OUTLIER -46.33 -26.97 0.92 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -36.69 78.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 184' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 181' ' ' SER . 2.9 mmtm -76.87 -36.7 56.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.387 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.674 HD13 ' HA ' ' A' ' 182' ' ' ARG . 4.9 mp -53.43 -47.22 69.84 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -75.21 -51.71 12.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 111.047 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -52.04 -57.94 8.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 41.1 tp . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.884 HD13 HG22 ' A' ' 168' ' ' VAL . 3.4 mm -55.85 -47.95 78.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.369 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -55.23 37.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 55.8 t -55.17 -59.88 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 204' ' ' GLN . . . . . 0.556 ' O ' HD23 ' A' ' 208' ' ' LEU . 0.0 OUTLIER -50.66 -55.75 15.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.245 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.556 HG13 ' CD2' ' A' ' 230' ' ' TYR . 4.6 mm -44.72 -54.02 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.43 -45.51 18.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.944 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.17 -31.52 70.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 208' ' ' LEU . . . . . 0.621 ' O ' HG22 ' A' ' 212' ' ' VAL . 4.6 mm? -71.45 -29.75 65.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 209' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 213' ' ' GLU . 42.8 mtt180 -66.32 -43.48 86.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -23.32 62.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.345 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 34.3 ttm -70.88 -60.91 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 212' ' ' VAL . . . . . 0.894 HG23 ' HG2' ' A' ' 213' ' ' GLU . 16.0 m -79.96 -32.91 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.894 ' HG2' HG23 ' A' ' 212' ' ' VAL . 3.6 mm-40 -122.28 -148.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.325 -179.956 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.451 -0.98 0 N-CA-C 111.049 -0.404 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -129.02 -54.69 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.58 ' O ' HD13 ' A' ' 222' ' ' ILE . 87.4 m-85 -88.31 21.62 2.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 222' ' ' ILE . . . . . 0.58 HD13 ' O ' ' A' ' 221' ' ' TYR . 17.5 mm -142.43 114.24 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.413 1.07 . . . . 0.0 109.308 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 223' ' ' GLN . . . . . 0.516 ' O ' HG12 ' A' ' 231' ' ' VAL . 1.1 mt-30 -119.52 81.96 1.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.353 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 224' ' ' THR . . . . . 0.444 HG23 ' CD2' ' A' ' 230' ' ' TYR . 41.7 m -86.21 115.14 23.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 225' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 229' ' ' GLY . 0.0 OUTLIER -118.02 99.01 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 109.294 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 1.9 p90 -50.55 -35.07 28.04 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -60.69 -25.47 63.56 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.516 1.135 . . . . 0.0 111.072 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . 0.573 HD13 ' HG2' ' A' ' 179' ' ' PRO . 5.4 mt -118.78 -74.16 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 0.775 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 229' ' ' GLY . . . . . 0.55 ' C ' ' CD1' ' A' ' 230' ' ' TYR . . . 179.85 -108.5 0.24 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 230' ' ' TYR . . . . . 0.567 ' HB3' HD11 ' A' ' 172' ' ' LEU . 30.6 m-85 -147.59 115.27 6.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 0.74 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 231' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 223' ' ' GLN . 3.3 p -119.65 161.28 19.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 5.0 t80 -124.68 100.6 6.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 55.1 t -106.66 103.61 47.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.118 0 O-C-N 124.469 1.773 . . . . 0.0 110.997 179.942 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.734 HG12 ' CG ' ' A' ' 146' ' ' ASN . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.867 HG12 HG21 ' A' ' 173' ' ' VAL . 1.9 mp -141.7 111.69 2.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.484 ' CB ' ' HA ' ' A' ' 144' ' ' LYS . . . -124.07 155.05 39.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.58 ' HB2' ' CD1' ' A' ' 143' ' ' PHE . 7.6 m-85 -129.87 -177.97 4.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 111.027 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.508 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -28.06 -81.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.569 1.168 . . . . 0.0 111.067 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.504 ' C ' ' CD1' ' A' ' 143' ' ' PHE . 1.6 mttt -108.59 43.57 1.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 0.726 . . . . 0.0 109.345 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.582 ' CD2' ' HG3' ' A' ' 154' ' ' ARG . 0.7 OUTLIER -144.02 161.77 37.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.484 ' HA ' ' CB ' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -159.93 108.42 1.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.216 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.714 HD12 ' SD ' ' A' ' 152' ' ' MET . 5.2 tt -120.13 157.15 29.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.734 ' CG ' HG12 ' A' ' 137' ' ' VAL . 56.6 t-20 -156.96 127.02 6.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.648 ' CD1' HD21 ' A' ' 145' ' ' LEU . 2.0 mp -80.06 -49.44 11.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -53.64 -32.12 46.2 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.452 1.095 . . . . 0.0 111.028 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . 0.459 ' OG1' ' ND2' ' A' ' 146' ' ' ASN . 85.4 m -102.06 -14.11 17.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 0.737 . . . . 0.0 110.401 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 49.08 52.4 14.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 110.381 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.417 ' HB3' ' CE1' ' A' ' 153' ' ' PHE . 27.7 mm-40 -147.64 117.73 7.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.714 ' SD ' HD12 ' A' ' 145' ' ' LEU . 10.2 ttt -125.49 154.93 41.32 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.537 ' CD1' ' O ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -157.89 172.41 18.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 111.0 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . 0.582 ' HG3' ' CD2' ' A' ' 143' ' ' PHE . 0.1 OUTLIER -160.14 123.53 3.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.233 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 57.66 50.81 10.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 2.2 t0 62.2 23.7 14.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.419 1.075 . . . . 0.0 109.236 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 3.1 tm-20 -110.43 103.21 53.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.22 21.4 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.542 1.812 . . . . 0.0 110.93 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 1.5 ptm -160.0 127.82 2.79 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -164.56 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 111.016 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.571 HD11 ' CD1' ' A' ' 145' ' ' LEU . 6.0 mt -143.68 138.54 28.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . 0.46 HG22 ' H ' ' A' ' 164' ' ' GLY . 31.0 m -75.0 149.23 39.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.541 1.151 . . . . 0.0 110.372 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 50.0 m -45.41 -37.27 4.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.93 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.916 ' O ' HG23 ' A' ' 168' ' ' VAL . . . -72.6 -52.01 10.89 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.556 1.16 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 204' ' ' GLN . 0.1 OUTLIER -55.97 -64.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 0.757 . . . . 0.0 110.324 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.526 ' CE2' ' HA ' ' A' ' 147' ' ' LEU . 5.3 t80 -43.87 -50.71 7.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -59.99 -49.38 77.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.916 HG23 ' O ' ' A' ' 164' ' ' GLY . 79.6 t -57.08 -61.49 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.388 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.626 ' HB2' HD13 ' A' ' 208' ' ' LEU . 5.0 tt -58.74 -19.7 42.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 174' ' ' SER . 22.4 tttt -79.89 -55.19 5.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.076 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.648 ' HA ' HD22 ' A' ' 188' ' ' LEU . . . -61.23 -26.29 67.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.802 HD22 ' HB2' ' A' ' 232' ' ' PHE . 2.3 mt -79.92 -50.69 10.09 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.867 HG21 HG12 ' A' ' 138' ' ' ILE . 0.6 OUTLIER -78.1 0.12 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.344 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 170' ' ' LYS . 7.4 m -95.95 -22.68 17.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.609 1.193 . . . . 0.0 109.942 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . 0.419 ' NE2' ' OE2' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -121.03 89.63 46.31 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.609 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.14 120.02 5.85 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.466 1.771 . . . . 0.0 110.958 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 62.39 31.09 17.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.419 ' OE2' ' NE2' ' A' ' 175' ' ' HIS . 0.2 OUTLIER -131.72 88.61 41.97 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 110.276 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 179' ' ' PRO . . . . . 0.474 ' HG2' HD12 ' A' ' 228' ' ' LEU . 18.4 Cg_endo -74.92 138.94 23.9 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.515 1.797 . . . . 0.0 111.042 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.802 HD22 ' HG3' ' A' ' 184' ' ' LYS . 6.4 mt -142.53 165.77 26.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.178 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.17 154.75 33.83 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.431 1.082 . . . . 0.0 109.989 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . 0.504 ' HG3' ' CE1' ' A' ' 230' ' ' TYR . 0.0 OUTLIER -51.47 -33.03 29.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.285 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -68.67 -48.81 62.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.181 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 184' ' ' LYS . . . . . 0.802 ' HG3' HD22 ' A' ' 180' ' ' LEU . 2.4 mmtt -52.65 -35.6 55.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.243 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.764 HD22 HD12 ' A' ' 201' ' ' ILE . 5.4 mp -57.63 -64.47 0.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 21.7 ptm -62.24 -24.33 67.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 111.044 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.76 -32.72 52.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.648 HD22 ' HA ' ' A' ' 171' ' ' ALA . 3.8 tt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 200' ' ' SER . . . . . 0.503 ' O ' ' CG ' ' A' ' 204' ' ' GLN . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.764 HD12 HD22 ' A' ' 185' ' ' LEU . 2.8 mm -80.83 -71.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -44.15 -28.74 0.53 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.438 1.086 . . . . 0.0 109.2 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 203' ' ' VAL . . . . . 0.413 ' N ' ' C ' ' A' ' 201' ' ' ILE . 66.7 t -80.08 -55.85 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.215 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 204' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 200' ' ' SER . 14.3 mm-40 -50.24 -58.51 5.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . . . . . . . . . 4.4 pt -48.57 -26.99 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.29 -36.52 58.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 207' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 204' ' ' GLN . 67.1 mtt180 -79.12 -34.22 43.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.382 1.051 . . . . 0.0 110.33 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 208' ' ' LEU . . . . . 0.626 HD13 ' HB2' ' A' ' 169' ' ' LEU . 17.0 mt -72.1 -31.81 66.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.587 1.179 . . . . 0.0 109.259 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 209' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 213' ' ' GLU . 3.9 mmp_? -72.92 -43.87 61.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.386 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -69.08 -17.82 63.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.345 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 1.5 ttp -75.11 -62.56 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 111.044 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 212' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 208' ' ' LEU . 6.5 m -81.08 -34.46 13.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 209' ' ' ARG . 17.0 mm-40 -115.12 88.61 2.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.339 179.998 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.957 0 N-CA-C 110.961 -0.438 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 220' ' ' ARG . . . . . 0.583 ' HG2' ' CE1' ' A' ' 221' ' ' TYR . 0.0 OUTLIER -179.78 -67.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.736 ' O ' HD13 ' A' ' 222' ' ' ILE . 42.1 m-85 -88.49 21.14 3.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 222' ' ' ILE . . . . . 0.736 HD13 ' O ' ' A' ' 221' ' ' TYR . 18.9 mm -143.71 117.34 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.387 1.055 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -119.21 88.76 2.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.417 1.073 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 33.5 m -83.31 113.16 20.51 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.453 1.096 . . . . 0.0 110.364 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 225' ' ' VAL . . . . . 0.47 HG23 ' H ' ' A' ' 229' ' ' GLY . 35.0 m -125.36 119.3 55.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -67.0 -33.1 74.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.614 1.197 . . . . 0.0 108.038 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -59.1 -21.9 54.2 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.4 1.063 . . . . 0.0 111.018 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . 0.474 HD12 ' HG2' ' A' ' 179' ' ' PRO . 0.2 OUTLIER -128.53 -76.64 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 0.71 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 229' ' ' GLY . . . . . 0.47 ' H ' HG23 ' A' ' 225' ' ' VAL . . . 176.67 -115.91 0.53 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.432 1.083 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 230' ' ' TYR . . . . . 0.575 ' HB2' HD11 ' A' ' 185' ' ' LEU . 11.7 m-85 -136.06 114.53 11.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.363 0.684 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 3.1 p -119.47 156.25 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.802 ' HB2' HD22 ' A' ' 172' ' ' LEU . 30.0 t80 -119.81 98.77 6.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 111.081 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 73.2 t -106.04 104.35 49.03 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.371 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.12 0 O-C-N 124.558 1.82 . . . . 0.0 110.952 -179.921 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.924 ' O ' HD13 ' A' ' 138' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.924 HD13 ' O ' ' A' ' 137' ' ' VAL . 1.4 mm -134.93 107.15 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.494 ' CB ' ' HA ' ' A' ' 144' ' ' LYS . . . -129.87 156.41 44.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 109.239 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.638 ' HE1' HG22 ' A' ' 138' ' ' ILE . 0.9 OUTLIER -135.6 79.26 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 57.2 -82.52 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.416 1.073 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 140' ' ' PHE . 0.0 OUTLIER -78.22 -41.62 33.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 109.331 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 212' ' ' VAL . 56.5 m-85 -73.86 162.43 29.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.037 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.494 ' HA ' ' CB ' ' A' ' 139' ' ' ALA . 2.3 ptpp? -160.39 105.28 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.859 HD12 ' H ' ' A' ' 146' ' ' ASN . 0.1 OUTLIER -122.91 159.95 27.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.386 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.859 ' H ' HD12 ' A' ' 145' ' ' LEU . 64.7 t-20 -160.23 122.52 3.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.221 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.619 HD12 HD11 ' A' ' 145' ' ' LEU . 8.6 mp -83.97 -44.26 14.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.219 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -60.02 -13.69 28.12 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 33.6 m -114.6 -33.83 5.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.406 0.71 . . . . 0.0 110.328 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 6.4 ttp85 74.43 42.94 0.29 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.383 1.052 . . . . 0.0 110.329 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -150.41 120.7 7.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.522 ' C ' ' CD1' ' A' ' 153' ' ' PHE . 10.2 ttt -128.49 142.82 50.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 111.038 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.522 ' CD1' ' C ' ' A' ' 152' ' ' MET . 0.2 OUTLIER -134.47 169.27 17.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 111.042 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . 0.41 ' HG3' ' CE1' ' A' ' 143' ' ' PHE . 1.3 tmt_? -148.56 115.85 6.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.351 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 51.87 62.25 2.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 54.25 61.23 3.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -152.29 102.6 2.77 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.506 1.129 . . . . 0.0 110.375 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.413 ' HA ' ' CD1' ' A' ' 153' ' ' PHE . 18.1 Cg_endo -75.03 125.34 9.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 110.949 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 6.9 ptm -145.9 130.16 8.72 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 110.948 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -179.74 5.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.538 1.809 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.416 HD11 ' HB3' ' A' ' 152' ' ' MET . 3.3 mp -135.49 118.98 16.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . 0.615 HG22 ' H ' ' A' ' 164' ' ' GLY . 19.5 m -53.55 142.62 22.03 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.123 . . . . 0.0 110.409 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.5 p -44.67 -30.28 0.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 110.013 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . 0.615 ' H ' HG22 ' A' ' 162' ' ' THR . . . -74.1 -41.64 38.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 111.042 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.646 ' HA ' HD21 ' A' ' 208' ' ' LEU . 31.7 mt-10 -62.04 -70.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 0.744 . . . . 0.0 110.314 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.593 ' CE2' ' HA ' ' A' ' 147' ' ' LEU . 4.1 t80 -40.88 -46.0 2.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.933 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -58.68 -61.73 2.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.674 HG22 HD11 ' A' ' 201' ' ' ILE . 41.6 t -55.06 -55.68 14.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 5.1 tt -49.35 -50.64 39.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . 0.585 ' HA ' HG12 ' A' ' 173' ' ' VAL . 14.8 tmtt? -53.83 -41.86 67.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 109.274 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 185' ' ' LEU . . . -65.27 -30.02 70.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.646 HD11 ' CD1' ' A' ' 205' ' ' ILE . 1.4 mt -80.28 -50.11 10.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.585 HG12 ' HA ' ' A' ' 170' ' ' LYS . 1.1 p -78.11 -0.15 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.218 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 170' ' ' LYS . 0.5 OUTLIER -73.44 -24.9 60.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . 0.426 ' HB2' HD11 ' A' ' 180' ' ' LEU . 0.1 OUTLIER -146.89 95.7 4.44 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.565 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 176' ' ' PRO . . . . . 0.456 ' O ' ' CB ' ' A' ' 177' ' ' ARG . 18.2 Cg_endo -75.01 138.06 22.5 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.47 1.774 . . . . 0.0 111.043 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.456 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 4.7 ttm180 80.87 -55.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -70.71 115.18 33.02 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.62 1.2 . . . . 0.0 110.259 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 179' ' ' PRO . . . . . 0.403 ' HA ' ' HB ' ' A' ' 231' ' ' VAL . 18.0 Cg_endo -75.08 155.01 42.52 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.552 1.817 . . . . 0.0 110.948 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.599 HD13 ' CD1' ' A' ' 188' ' ' LEU . 49.3 mt -132.71 161.96 32.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 181' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 184' ' ' LYS . 28.2 p -84.13 150.09 25.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . 0.46 ' HA ' HD13 ' A' ' 185' ' ' LEU . 0.3 OUTLIER -47.65 -34.66 8.34 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . 0.43 ' O ' ' ND2' ' A' ' 187' ' ' ASN . 91.9 m-20 -70.04 -36.15 74.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.426 1.079 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 184' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 181' ' ' SER . 0.0 OUTLIER -79.82 -8.76 59.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.582 HD22 HD12 ' A' ' 201' ' ' ILE . 0.1 OUTLIER -78.34 -61.97 1.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -30.95 69.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 187' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 183' ' ' ASP . 52.8 m-20 -63.25 -54.76 32.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.599 ' CD1' HD13 ' A' ' 180' ' ' LEU . 11.5 mt . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.368 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.674 HD11 HG22 ' A' ' 168' ' ' VAL . 0.3 OUTLIER -42.49 -49.79 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 202' ' ' ASP . . . . . 0.409 ' N ' HG22 ' A' ' 201' ' ' ILE . 6.8 t70 -49.29 -55.45 12.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.368 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 85.3 t -61.45 -51.6 70.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.308 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 204' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -49.55 -51.6 35.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.646 ' CD1' HD11 ' A' ' 172' ' ' LEU . 4.6 mm -48.46 -48.78 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 2.1 t -56.55 -37.67 70.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.17 -19.62 46.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 208' ' ' LEU . . . . . 0.646 HD21 ' HA ' ' A' ' 165' ' ' GLU . 5.7 mt -80.47 -53.47 6.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.586 1.179 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 209' ' ' ARG . . . . . 0.511 ' HB3' HG21 ' A' ' 222' ' ' ILE . 0.0 OUTLIER -59.07 -37.25 76.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.372 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -34.68 76.45 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.448 1.093 . . . . 0.0 110.351 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 211' ' ' MET . . . . . 0.403 ' CE ' ' OE1' ' A' ' 165' ' ' GLU . 11.3 mtp -70.63 -53.46 15.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 212' ' ' VAL . . . . . 0.597 ' O ' ' CE1' ' A' ' 143' ' ' PHE . 25.7 m -72.05 -49.54 43.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.477 ' N ' HG23 ' A' ' 212' ' ' VAL . 1.8 mt-10 -105.58 89.43 3.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.543 1.152 . . . . 0.0 110.253 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.599 1.187 . . . . 0.0 110.292 179.971 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.833 0 N-CA-C 110.952 -0.441 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -167.22 -55.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.252 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 232' ' ' PHE . 96.2 m-85 -89.53 21.45 3.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 222' ' ' ILE . . . . . 0.511 HG21 ' HB3' ' A' ' 209' ' ' ARG . 8.6 mm -142.53 110.1 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.404 1.065 . . . . 0.0 109.266 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 223' ' ' GLN . . . . . 0.642 ' O ' HG12 ' A' ' 231' ' ' VAL . 48.3 mm-40 -120.73 121.51 38.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 110.249 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 224' ' ' THR . . . . . 0.48 ' O ' HG13 ' A' ' 225' ' ' VAL . 13.3 t -100.8 166.94 10.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 225' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 224' ' ' THR . 0.0 OUTLIER -160.44 108.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.232 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -53.4 -46.32 69.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.004 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -54.35 -22.16 22.09 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.534 1.147 . . . . 0.0 110.988 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . 0.435 ' HA ' HD13 ' A' ' 228' ' ' LEU . 1.4 mm? -121.35 -88.78 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 0.782 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 229' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . -175.94 -87.23 0.07 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.121 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 230' ' ' TYR . . . . . 0.535 ' HB2' HD11 ' A' ' 185' ' ' LEU . 53.5 m-85 -152.47 121.08 6.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 231' ' ' VAL . . . . . 0.642 HG12 ' O ' ' A' ' 223' ' ' GLN . 7.2 p -119.53 168.83 11.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 221' ' ' TYR . 5.0 t80 -120.38 97.56 5.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 60.1 t -110.86 112.25 56.01 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.105 0 O-C-N 124.559 1.821 . . . . 0.0 110.981 -179.918 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.519 HG12 ' CG ' ' A' ' 146' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.887 HG13 HG21 ' A' ' 173' ' ' VAL . 28.9 mm -123.17 104.11 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.488 ' CB ' ' HA ' ' A' ' 144' ' ' LYS . . . -120.0 151.65 38.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.687 ' CE1' HG22 ' A' ' 138' ' ' ILE . 3.5 m-85 -125.58 -178.13 4.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -32.91 -87.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.449 1.093 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.568 ' C ' ' CD1' ' A' ' 143' ' ' PHE . 0.3 OUTLIER -98.14 43.73 1.06 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.445 0.732 . . . . 0.0 109.344 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.61 ' CD1' ' N ' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -148.73 166.36 28.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.488 ' HA ' ' CB ' ' A' ' 139' ' ' ALA . 0.1 OUTLIER -160.4 108.91 1.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 109.357 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.873 HD12 ' H ' ' A' ' 146' ' ' ASN . 0.1 OUTLIER -120.47 162.04 20.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 0.0 109.253 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.873 ' H ' HD12 ' A' ' 145' ' ' LEU . 56.8 t-20 -155.85 118.41 4.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.634 HD23 ' CE1' ' A' ' 166' ' ' PHE . 5.5 mp -82.34 -22.97 35.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -80.38 9.62 47.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . 0.577 HG22 ' HB3' ' A' ' 146' ' ' ASN . 0.7 OUTLIER -144.97 -37.82 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 0.787 . . . . 0.0 110.275 -179.898 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 149' ' ' THR . 1.2 mtt180 83.14 43.87 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 153' ' ' PHE . 6.4 mt-10 -137.48 115.18 11.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 159' ' ' MET . 0.2 OUTLIER -119.3 145.24 46.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 110.982 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -150.3 149.9 30.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . 0.562 ' HG3' ' CD2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -145.77 123.17 11.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.089 . . . . 0.0 110.32 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . 0.409 ' C ' ' N ' ' A' ' 157' ' ' GLU . 3.0 tt0 72.18 58.88 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 5.5 t0 45.7 25.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 155' ' ' GLU . 0.2 OUTLIER -125.73 137.96 31.03 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.12 43.05 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.437 1.756 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 152' ' ' MET . 7.5 tpp -160.23 108.97 1.39 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 178.79 6.81 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.385 1.729 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -159.74 123.74 3.77 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.62 1.2 . . . . 0.0 109.237 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . 0.4 ' OG1' ' N ' ' A' ' 163' ' ' SER . 4.2 t -64.77 176.08 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.36 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . 0.4 ' N ' ' OG1' ' A' ' 162' ' ' THR . 19.3 m -66.15 -29.43 69.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.589 1.18 . . . . 0.0 110.051 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -62.79 -53.79 38.37 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.525 1.14 . . . . 0.0 110.958 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -55.58 -64.41 0.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.626 0.839 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.634 ' CE1' HD23 ' A' ' 147' ' ' LEU . 3.0 t80 -46.17 -41.76 13.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -55.55 -64.13 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.424 HG13 ' CD1' ' A' ' 201' ' ' ILE . 89.8 t -61.1 -53.91 42.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.571 HD21 HD21 ' A' ' 145' ' ' LEU . 1.3 tt -47.95 -59.14 3.57 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.405 1.066 . . . . 0.0 109.247 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . 0.722 ' HA ' HG12 ' A' ' 173' ' ' VAL . 0.0 OUTLIER -49.46 -44.03 45.48 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.582 1.177 . . . . 0.0 109.291 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -63.78 -30.56 71.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.393 1.058 . . . . 0.0 109.351 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.72 HD11 ' CD1' ' A' ' 205' ' ' ILE . 0.3 OUTLIER -79.03 -49.98 11.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.887 HG21 HG13 ' A' ' 138' ' ' ILE . 7.5 p -71.9 -6.53 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.605 1.19 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 41.4 t -61.97 -44.62 96.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.604 1.19 . . . . 0.0 110.004 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -123.72 88.77 51.87 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.604 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 176' ' ' PRO . . . . . 0.422 ' O ' ' CB ' ' A' ' 177' ' ' ARG . 18.3 Cg_endo -75.03 64.96 6.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.463 1.77 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.422 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 0.0 OUTLIER 163.73 -53.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -76.26 130.29 77.98 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.075 . . . . 0.0 110.372 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 179' ' ' PRO . . . . . 0.778 ' C ' HD22 ' A' ' 180' ' ' LEU . 18.4 Cg_endo -75.05 165.21 31.72 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.778 HD22 ' C ' ' A' ' 179' ' ' PRO . 3.8 mm? -137.76 172.1 13.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.565 1.166 . . . . 0.0 109.25 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 181' ' ' SER . . . . . 0.554 ' O ' HD12 ' A' ' 185' ' ' LEU . 39.8 p -108.69 141.96 39.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.03 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -41.75 -32.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 110.253 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -76.67 -56.67 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.409 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -53.67 -28.29 32.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.358 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.584 HD21 ' HB2' ' A' ' 230' ' ' TYR . 1.3 mp -63.23 -65.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.279 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 16.8 ptm -59.35 -25.75 64.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.981 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -63.69 -51.7 63.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.388 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.479 ' CD1' ' HB3' ' A' ' 185' ' ' LEU . 3.8 mm -63.75 -65.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.88 -28.91 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 203' ' ' VAL . . . . . 0.436 ' N ' ' C ' ' A' ' 201' ' ' ILE . 25.3 t -80.22 -52.93 13.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 204' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -60.42 -45.37 93.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.72 ' CD1' HD11 ' A' ' 172' ' ' LEU . 19.0 mm -46.51 -56.47 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . 0.455 ' O ' ' CB ' ' A' ' 210' ' ' ARG . 40.0 t -51.45 -36.35 43.63 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.404 1.065 . . . . 0.0 110.056 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 207' ' ' ARG . . . . . 0.412 ' NH1' ' NH1' ' A' ' 210' ' ' ARG . 14.2 mmt180 -75.63 -26.39 57.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.388 1.055 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 62.5 mt -79.01 -47.36 16.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 209' ' ' ARG . . . . . 0.75 ' HB3' HG21 ' A' ' 222' ' ' ILE . 0.0 OUTLIER -71.49 -33.46 69.28 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 210' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 206' ' ' SER . 1.4 tmt_? -71.55 -27.09 62.92 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.535 1.147 . . . . 0.0 110.235 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -59.78 2.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 212' ' ' VAL . . . . . . . . . . . . . 25.4 m -77.15 -45.08 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -108.23 91.45 3.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 0.0 110.345 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.172 . . . . 0.0 110.283 -179.926 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.903 0 N-CA-C 110.996 -0.425 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -173.66 -73.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.39 1.057 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.551 ' CD2' ' HA ' ' A' ' 234' ' ' PRO . 90.3 m-85 -89.86 21.9 3.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 222' ' ' ILE . . . . . 0.75 HG21 ' HB3' ' A' ' 209' ' ' ARG . 15.9 mm -144.58 113.73 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 223' ' ' GLN . . . . . 0.565 ' O ' HG23 ' A' ' 225' ' ' VAL . 3.3 mm100 -120.38 90.12 3.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 224' ' ' THR . . . . . 0.429 HG23 ' CE1' ' A' ' 230' ' ' TYR . 94.9 m -65.87 113.29 4.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.355 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 225' ' ' VAL . . . . . 0.59 HG11 HD12 ' A' ' 228' ' ' LEU . 17.3 t -113.49 109.55 28.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.401 1.063 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -60.31 -49.04 79.19 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -53.26 -37.44 54.95 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . 0.59 HD12 HG11 ' A' ' 225' ' ' VAL . 2.9 mt -103.68 -88.23 0.42 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.46 0.741 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 229' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . -178.53 -78.78 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.085 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 230' ' ' TYR . . . . . 0.584 ' HB2' HD21 ' A' ' 185' ' ' LEU . 88.7 m-85 -160.15 123.48 3.52 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.5 0.765 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 231' ' ' VAL . . . . . 0.442 HG13 ' HB2' ' A' ' 223' ' ' GLN . 14.6 p -119.61 156.55 22.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.545 ' CD1' ' O ' ' A' ' 221' ' ' TYR . 15.1 t80 -120.87 98.48 6.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.09 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 16.3 t -103.85 106.28 52.01 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 234' ' ' PRO . . . . . 0.551 ' HA ' ' CD2' ' A' ' 221' ' ' TYR . 17.9 Cg_endo . . . . . 0 C--N 1.362 1.246 0 O-C-N 124.564 1.823 . . . . 0.0 110.988 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.727 HG23 ' N ' ' A' ' 138' ' ' ILE . 1.2 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.727 ' N ' HG23 ' A' ' 137' ' ' VAL . 8.7 mm -140.01 114.38 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.575 1.172 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.495 ' CB ' ' HA ' ' A' ' 144' ' ' LYS . . . -135.53 156.53 48.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.836 ' CZ ' ' CD1' ' A' ' 143' ' ' PHE . 12.2 p90 -159.24 118.17 2.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 111.096 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 74.11 -93.31 0.77 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.046 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -125.48 1.76 7.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.836 ' CD1' ' CZ ' ' A' ' 140' ' ' PHE . 2.4 t80 -101.14 131.49 47.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.073 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.575 ' HD2' ' CE2' ' A' ' 153' ' ' PHE . 9.1 ptpt -131.32 140.55 49.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 109.232 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.815 HD21 HD11 ' A' ' 147' ' ' LEU . 0.2 OUTLIER -144.35 141.46 29.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 150' ' ' ARG . 49.4 t-20 -144.01 114.46 7.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.815 HD11 HD21 ' A' ' 145' ' ' LEU . 0.5 OUTLIER -72.8 -47.63 44.89 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -51.34 -26.68 14.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 110.941 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 35.2 m -110.44 -14.11 14.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.399 0.705 . . . . 0.0 110.4 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 146' ' ' ASN . 29.5 ttp180 54.03 49.69 18.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 0.0 110.25 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -149.13 120.31 7.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.0 110.269 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.628 ' SD ' HD11 ' A' ' 161' ' ' LEU . 16.1 ptm -136.44 140.58 43.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.575 ' CE2' ' HD2' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -135.9 173.45 11.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.392 1.058 . . . . 0.0 110.969 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -154.52 102.78 2.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.072 . . . . 0.0 110.289 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 59.35 69.12 0.74 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 53.23 63.43 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 20.7 mt-10 -153.98 79.34 5.19 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.585 1.178 . . . . 0.0 110.301 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . 0.455 ' HA ' ' CD1' ' A' ' 153' ' ' PHE . 18.2 Cg_endo -75.07 126.97 10.27 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.554 1.818 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . 0.415 ' HG3' ' O ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -154.39 135.88 9.06 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.5 1.125 . . . . 0.0 110.926 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 159' ' ' MET . 18.2 Cg_endo -74.91 -165.95 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.41 1.742 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . 0.628 HD11 ' SD ' ' A' ' 152' ' ' MET . 12.1 mt -140.78 152.92 45.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 24.6 m -79.71 166.5 21.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 2.2 m -59.71 -58.05 10.27 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -66.03 -30.53 77.15 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.565 1.166 . . . . 0.0 110.974 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . 0.669 ' HB3' HD21 ' A' ' 208' ' ' LEU . 96.0 mt-10 -67.79 -73.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 110.335 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . 0.575 ' C ' ' CD1' ' A' ' 166' ' ' PHE . 0.3 OUTLIER -39.65 -35.02 0.28 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.617 1.198 . . . . 0.0 110.993 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -70.57 -58.82 3.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.566 HG13 ' CD2' ' A' ' 185' ' ' LEU . 9.5 t -54.28 -39.55 44.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 0.558 HD22 HD11 ' A' ' 145' ' ' LEU . 0.7 OUTLIER -69.91 -22.34 63.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . 0.6 ' HG3' HD23 ' A' ' 147' ' ' LEU . 10.9 tmtt? -77.1 -52.5 9.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.409 1.068 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.582 ' HB2' HD22 ' A' ' 188' ' ' LEU . . . -58.83 -32.48 69.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.593 HD22 ' HB2' ' A' ' 232' ' ' PHE . 0.9 OUTLIER -74.95 -52.1 12.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.534 HG12 ' HA ' ' A' ' 170' ' ' LYS . 0.8 OUTLIER -70.9 -7.87 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.252 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 170' ' ' LYS . 35.4 t -73.06 -14.63 61.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.96 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -152.74 80.12 5.68 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 109.613 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 58.24 4.84 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.458 1.768 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 15.4 ttt85 176.88 -41.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.614 1.196 . . . . 0.0 110.259 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -93.27 137.4 23.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.348 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 179' ' ' PRO . . . . . 0.563 ' O ' HD22 ' A' ' 180' ' ' LEU . 18.3 Cg_endo -75.01 159.98 40.67 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.525 1.803 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.594 HD12 ' HB3' ' A' ' 184' ' ' LYS . 1.2 mm? -136.89 139.3 41.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 181' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 184' ' ' LYS . 0.3 OUTLIER -79.37 140.11 37.56 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.512 1.133 . . . . 0.0 109.949 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . 0.713 ' HG2' HD12 ' A' ' 201' ' ' ILE . 5.6 tmm_? -40.18 -38.83 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.399 1.062 . . . . 0.0 110.21 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.59 -49.79 61.44 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.58 1.175 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 184' ' ' LYS . . . . . 0.594 ' HB3' HD12 ' A' ' 180' ' ' LEU . 5.2 mmtp -48.97 -41.03 32.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.354 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.566 ' CD2' HG13 ' A' ' 168' ' ' VAL . 0.5 OUTLIER -54.33 -63.3 1.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 6.8 ptp -67.23 -9.85 44.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -79.24 -37.81 37.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . 0.582 HD22 ' HB2' ' A' ' 171' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 109.348 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.713 HD12 ' HG2' ' A' ' 182' ' ' ARG . 6.0 mt -85.0 -47.41 17.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 202' ' ' ASP . . . . . 0.501 ' CA ' ' OH ' ' A' ' 230' ' ' TYR . 0.8 OUTLIER -47.27 -28.84 2.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.221 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 90.7 t -80.11 -56.03 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 0.0 109.378 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 204' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 207' ' ' ARG . 3.9 tp60 -57.07 -50.05 73.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.216 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.694 HG12 HG22 ' A' ' 201' ' ' ILE . 14.5 mm -43.19 -52.07 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.302 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 7.6 t -53.61 -37.8 63.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.045 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 207' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 204' ' ' GLN . 2.4 mmp_? -77.43 -36.23 53.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.355 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 208' ' ' LEU . . . . . 0.669 HD21 ' HB3' ' A' ' 165' ' ' GLU . 25.4 mt -69.14 -27.56 65.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 209' ' ' ARG . . . . . 0.636 ' HD2' HG22 ' A' ' 205' ' ' ILE . 2.8 mtt180 -68.2 -53.44 24.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.076 . . . . 0.0 110.353 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.15 -18.58 65.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 3.3 mtp -80.2 -52.92 7.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 212' ' ' VAL . . . . . 0.74 HG23 ' HG2' ' A' ' 213' ' ' GLU . 34.1 m -71.45 -28.37 31.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.74 ' HG2' HG23 ' A' ' 212' ' ' VAL . 2.5 mm-40 -119.79 -147.16 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.163 . . . . 0.0 110.369 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.372 1.045 . . . . 0.0 110.279 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 219' ' ' PRO . . . . . 0.404 ' HG3' ' NE ' ' A' ' 209' ' ' ARG . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 111.014 -0.418 . . . . 0.0 111.014 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -137.13 -55.91 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.57 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 55.0 m-85 -89.66 21.56 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 222' ' ' ILE . . . . . . . . . . . . . 16.2 mm -140.21 110.61 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.41 1.069 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -119.92 101.2 7.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 98.9 m -79.76 121.27 25.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 110.492 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 225' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 229' ' ' GLY . 17.9 m -126.34 120.39 56.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -64.92 -43.97 91.05 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -48.26 -27.09 5.24 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.55 1.156 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.82 -81.7 0.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 0.79 . . . . 0.0 109.258 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 229' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 177.25 -77.94 0.07 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 230' ' ' TYR . . . . . 0.561 ' CE2' HG13 ' A' ' 205' ' ' ILE . 57.1 m-85 -156.3 124.57 5.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.744 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 231' ' ' VAL . . . . . 0.544 HG23 ' HA ' ' A' ' 179' ' ' PRO . 2.7 p -119.52 153.29 22.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.565 1.166 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.593 ' HB2' HD22 ' A' ' 172' ' ' LEU . 8.7 t80 -119.9 97.04 5.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 57.9 t -94.14 111.79 54.74 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 234' ' ' PRO . . . . . 0.563 ' HA ' ' CD2' ' A' ' 221' ' ' TYR . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 111.034 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.676 HG23 ' N ' ' A' ' 138' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ILE . . . . . 0.676 ' N ' HG23 ' A' ' 137' ' ' VAL . 5.3 mp -145.72 107.85 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ALA . . . . . 0.585 ' C ' ' CD1' ' A' ' 140' ' ' PHE . . . -125.05 165.81 17.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 109.366 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' PHE . . . . . 0.619 ' CD1' ' N ' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -144.59 79.53 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.986 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 60.08 -79.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.492 1.12 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 140' ' ' PHE . 0.4 OUTLIER -85.83 -42.81 13.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 0.744 . . . . 0.0 109.35 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.421 ' HB2' ' HB2' ' A' ' 140' ' ' PHE . 85.4 m-85 -69.17 162.68 26.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' LYS . . . . . 0.571 ' HB3' ' CE2' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -162.23 102.86 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' LEU . . . . . 0.626 HD12 ' H ' ' A' ' 146' ' ' ASN . 0.8 OUTLIER -119.7 156.85 29.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' ASN . . . . . 0.661 ' CG ' HG12 ' A' ' 137' ' ' VAL . 46.9 t-20 -156.54 119.7 4.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' LEU . . . . . 0.709 HD21 HD22 ' A' ' 169' ' ' LEU . 3.4 mt -79.5 -24.63 42.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -72.12 -30.13 65.71 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.391 1.057 . . . . 0.0 111.006 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' THR . . . . . 0.434 HG22 ' HB2' ' A' ' 151' ' ' GLU . 2.3 m -110.04 -11.31 14.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 110.443 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 52.72 50.67 17.6 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' GLU . . . . . 0.434 ' HB2' HG22 ' A' ' 149' ' ' THR . 3.2 mt-10 -144.92 116.91 8.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' MET . . . . . 0.409 ' HA ' ' O ' ' A' ' 144' ' ' LYS . 5.7 ttt -119.73 144.96 46.96 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.582 1.177 . . . . 0.0 110.943 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 144' ' ' LYS . 0.9 OUTLIER -159.45 155.46 26.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' ARG . . . . . 0.55 ' O ' ' CB ' ' A' ' 155' ' ' GLU . 0.0 OUTLIER -120.07 98.98 6.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.599 1.187 . . . . 0.0 110.271 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . 0.55 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 1.1 tt0 89.62 -24.24 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.539 1.149 . . . . 0.0 110.324 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 155' ' ' GLU . 0.6 OUTLIER 157.16 -32.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' GLU . . . . . 0.405 ' O ' ' CB ' ' A' ' 153' ' ' PHE . 1.6 mp0 -48.5 105.31 0.48 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.414 1.071 . . . . 0.0 110.323 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 118.36 5.25 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.525 1.803 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' MET . . . . . 0.404 ' HA ' ' HD3' ' A' ' 160' ' ' PRO . 0.0 OUTLIER -144.38 135.67 12.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 159' ' ' MET . 18.2 Cg_endo -74.94 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.594 1.839 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.76 122.97 4.93 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 88.8 m -39.16 146.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.432 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 13.2 m -50.84 -59.03 4.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.408 1.067 . . . . 0.0 109.973 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -46.38 -46.21 16.68 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.415 1.072 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -56.51 -47.6 78.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 0.797 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 166' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -59.67 -59.86 4.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.17 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -52.17 -59.16 4.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 168' ' ' VAL . . . . . 0.615 HG22 HD11 ' A' ' 201' ' ' ILE . 20.5 t -48.4 -55.51 3.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 124.506 1.129 . . . . 0.0 109.243 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 169' ' ' LEU . . . . . 1.044 HD12 HD22 ' A' ' 208' ' ' LEU . 3.6 tt -54.36 -61.02 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 170' ' ' LYS . . . . . 0.55 ' HG3' HD13 ' A' ' 147' ' ' LEU . 0.5 OUTLIER -41.04 -39.97 1.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 171' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 168' ' ' VAL . . . -60.57 -55.88 28.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.565 1.165 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 172' ' ' LEU . . . . . 0.484 ' CD2' ' C ' ' A' ' 231' ' ' VAL . 0.4 OUTLIER -60.43 -41.26 93.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 173' ' ' VAL . . . . . 0.671 HG11 HD11 ' A' ' 138' ' ' ILE . 41.1 t -79.98 0.22 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 174' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 170' ' ' LYS . 3.2 m -102.4 -27.27 12.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.94 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -115.05 90.53 23.67 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.632 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 132.21 15.17 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.487 1.782 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 177' ' ' ARG . . . . . 0.426 ' HG2' HG22 ' A' ' 233' ' ' VAL . 1.3 mtt180 45.77 54.85 7.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.173 . . . . 0.0 110.242 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 178' ' ' GLU . . . . . 0.503 ' C ' HG23 ' A' ' 231' ' ' VAL . 6.7 tt0 -153.35 98.75 2.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 179' ' ' PRO . . . . . 0.573 ' HB2' HD22 ' A' ' 228' ' ' LEU . 18.3 Cg_endo -74.96 131.0 13.84 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.516 1.798 . . . . 0.0 111.07 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 180' ' ' LEU . . . . . 0.489 ' CD1' ' O ' ' A' ' 178' ' ' GLU . 1.2 mp -131.63 152.55 50.74 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 181' ' ' SER . . . . . 0.507 ' O ' HD12 ' A' ' 185' ' ' LEU . 8.9 m -57.69 159.27 5.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.093 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -32.72 59.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 183' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 187' ' ' ASN . 0.1 OUTLIER -69.52 -60.1 2.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.223 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt -40.99 -36.45 0.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 185' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 181' ' ' SER . 2.0 mp -58.91 -65.31 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 10.2 ptm -67.68 -15.06 63.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 111.051 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 187' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 183' ' ' ASP . 1.2 t30 -79.98 -61.81 1.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 56.7 tp . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 201' ' ' ILE . . . . . 0.615 HD11 HG22 ' A' ' 168' ' ' VAL . 1.9 mm -47.97 -45.6 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.385 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -47.27 -57.6 5.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 203' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 207' ' ' ARG . 60.1 t -64.05 -54.91 25.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.386 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 204' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 208' ' ' LEU . 1.7 mp0 -46.46 -36.47 6.65 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.535 1.147 . . . . 0.0 110.346 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 205' ' ' ILE . . . . . 0.412 HD12 ' CD1' ' A' ' 230' ' ' TYR . 4.9 mm -62.34 -63.75 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.248 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 206' ' ' SER . . . . . 0.453 ' HA ' ' CG ' ' A' ' 209' ' ' ARG . 19.4 t -60.88 -28.02 68.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.984 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 207' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 203' ' ' VAL . 16.8 tpp180 -78.74 -27.01 44.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 110.258 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 208' ' ' LEU . . . . . 1.044 HD22 HD12 ' A' ' 169' ' ' LEU . 12.3 mt -80.03 -55.72 4.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 209' ' ' ARG . . . . . 0.672 ' HB3' HG21 ' A' ' 222' ' ' ILE . 0.0 OUTLIER -55.26 -29.36 57.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.33 -45.98 65.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.79 -51.43 69.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.08 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 212' ' ' VAL . . . . . 0.551 ' HB ' ' CZ ' ' A' ' 140' ' ' PHE . 29.0 m -74.83 -34.04 32.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.376 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 213' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 209' ' ' ARG . 58.0 mm-40 -141.49 90.72 2.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.261 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.92 0 N-CA-C 111.049 -0.404 . . . . 0.0 111.049 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -141.41 -45.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.239 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 221' ' ' TYR . . . . . 0.599 ' O ' ' CE1' ' A' ' 232' ' ' PHE . 24.3 m-85 -86.94 18.5 3.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.182 . . . . 0.0 111.003 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 222' ' ' ILE . . . . . 0.672 HG21 ' HB3' ' A' ' 209' ' ' ARG . 1.7 mt -152.17 117.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.572 1.17 . . . . 0.0 109.368 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -119.83 102.14 8.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 224' ' ' THR . . . . . 0.732 HG23 ' CE1' ' A' ' 230' ' ' TYR . 31.4 m -83.12 122.97 29.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 110.411 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 225' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 229' ' ' GLY . 0.0 OUTLIER -129.78 106.82 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.075 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -37.51 73.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 108.018 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -56.68 -23.87 45.71 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 228' ' ' LEU . . . . . 0.573 HD22 ' HB2' ' A' ' 179' ' ' PRO . 0.2 OUTLIER -124.23 -79.94 0.62 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 0.788 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 229' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 178.59 -86.01 0.07 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.426 1.079 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 230' ' ' TYR . . . . . 0.732 ' CE1' HG23 ' A' ' 224' ' ' THR . 79.0 m-85 -160.07 124.02 3.68 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 0.755 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 231' ' ' VAL . . . . . 0.514 HG22 ' H ' ' A' ' 232' ' ' PHE . 9.9 p -119.52 170.55 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 232' ' ' PHE . . . . . 0.599 ' CE1' ' O ' ' A' ' 221' ' ' TYR . 14.1 t80 -131.37 104.12 6.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 233' ' ' VAL . . . . . 0.426 HG22 ' HG2' ' A' ' 177' ' ' ARG . 83.1 t -115.27 90.09 23.27 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.122 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.483 HG12 ' OD1' ' A' ' 146' ' ' ASN . 2.1 m -57.54 173.89 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.49 HG22 ' CE1' ' A' ' 140' ' ' PHE . 5.3 mp -131.34 107.75 13.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.404 1.065 . . . . 0.0 109.318 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.44 149.67 41.49 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.573 ' CD1' ' HB2' ' A' ' 143' ' ' PHE . 3.4 m-85 -120.7 -179.78 4.1 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.532 1.145 . . . . 0.0 111.021 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -53.04 -28.02 31.92 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 15.8 mttm -134.71 -47.56 0.74 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 0.759 . . . . 0.0 109.354 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.573 ' HB2' ' CD1' ' A' ' 140' ' ' PHE . 10.9 m-85 -69.8 154.61 41.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.482 ' HB2' ' CD2' ' A' ' 153' ' ' PHE . 17.5 mttt -142.69 131.72 23.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.629 HD11 HD22 ' A' ' 169' ' ' LEU . 1.8 tt -142.56 151.85 41.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.483 ' OD1' HG12 ' A' ' 137' ' ' VAL . 22.6 t-20 -160.04 119.85 2.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 1.049 HD22 ' CE1' ' A' ' 166' ' ' PHE . 63.7 mt -78.25 -43.85 27.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . 0.437 ' N ' ' OD1' ' A' ' 146' ' ' ASN . . . -51.81 -30.13 28.13 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.542 1.151 . . . . 0.0 110.97 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . 0.426 ' CB ' ' ND2' ' A' ' 146' ' ' ASN . 36.1 m -115.16 -7.2 12.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 0.741 . . . . 0.0 110.421 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 146' ' ' ASN . 0.0 OUTLIER 47.08 53.02 11.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.541 1.15 . . . . 0.0 110.328 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -139.34 114.84 9.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.417 1.073 . . . . 0.0 110.338 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.42 ' HB3' ' CD1' ' A' ' 161' ' ' LEU . 12.0 ttt -119.71 142.23 48.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 1.156 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.482 ' CD2' ' HB2' ' A' ' 144' ' ' LYS . 0.4 OUTLIER -157.59 157.39 33.59 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.42 1.075 . . . . 0.0 111.054 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.538 ' HG3' ' CD1' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -123.87 99.69 6.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.138 . . . . 0.0 110.335 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.524 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 0.6 OUTLIER 88.93 -23.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.307 -179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 155' ' ' GLU . 1.8 t0 156.71 -31.72 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.54 1.15 . . . . 0.0 109.321 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.412 ' O ' ' CB ' ' A' ' 153' ' ' PHE . 0.6 OUTLIER -49.55 106.0 0.58 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 122.79 7.41 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.519 1.799 . . . . 0.0 111.061 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.22 122.45 25.23 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.975 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 139.49 24.49 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.544 1.812 . . . . 0.0 111.036 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.42 ' CD1' ' HB3' ' A' ' 152' ' ' MET . 10.7 mt -119.94 95.14 4.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 3.5 t -54.07 164.93 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 110.45 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 167' ' ' ALA . 3.9 m -50.12 -54.03 23.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.651 1.219 . . . . 0.0 109.977 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.511 ' O ' HG23 ' A' ' 168' ' ' VAL . . . -51.61 -55.96 17.81 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.568 1.168 . . . . 0.0 110.955 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -58.35 -65.99 0.56 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.41 0.712 . . . . 0.0 110.232 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 1.049 ' CE1' HD22 ' A' ' 147' ' ' LEU . 0.2 OUTLIER -47.96 -51.43 23.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 163' ' ' SER . . . -55.68 -46.08 77.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.542 ' O ' ' HB3' ' A' ' 171' ' ' ALA . 3.2 t -56.56 -62.85 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.629 HD22 HD11 ' A' ' 145' ' ' LEU . 0.5 OUTLIER -54.18 -55.18 30.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.479 1.112 . . . . 0.0 109.348 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . 0.808 ' HG3' HD13 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -41.14 -44.62 2.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 168' ' ' VAL . . . -53.36 -49.0 68.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.455 1.097 . . . . 0.0 109.325 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.47 HD22 ' HB2' ' A' ' 232' ' ' PHE . 0.8 OUTLIER -65.48 -38.06 88.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 22.4 t -76.91 -6.73 9.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.472 1.107 . . . . 0.0 109.217 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . 0.457 ' CB ' ' HZ1' ' A' ' 170' ' ' LYS . 0.3 OUTLIER -88.52 -25.56 22.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.995 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 -138.85 91.47 11.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.649 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 127.72 10.88 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.556 1.819 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 73.81 31.34 1.24 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 110.319 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.424 ' C ' HG23 ' A' ' 231' ' ' VAL . 0.1 OUTLIER -122.39 99.93 42.33 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.589 1.181 . . . . 0.0 110.277 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 179' ' ' PRO . . . . . 0.584 ' HB2' HD12 ' A' ' 228' ' ' LEU . 18.5 Cg_endo -74.88 120.0 5.92 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.49 1.784 . . . . 0.0 111.07 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 1.3 mt -127.52 148.51 50.33 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . 0.747 ' O ' HD23 ' A' ' 185' ' ' LEU . 0.2 OUTLIER -61.26 163.62 6.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.042 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -27.38 68.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.324 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.02 -53.64 16.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.31 -25.93 64.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.747 HD23 ' O ' ' A' ' 181' ' ' SER . 2.5 mm? -58.44 -69.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 4.4 ptm -64.79 -28.64 69.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.469 1.106 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.15 -59.82 4.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.162 . . . . 0.0 109.243 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.7 tt -49.75 -51.73 36.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -61.1 -24.49 66.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 2.4 ttp85 -89.66 77.69 7.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.277 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -104.32 -91.1 2.2 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.472 1.107 . . . . 0.0 110.972 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -116.67 -54.63 2.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 0.789 . . . . 0.0 110.331 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -47.01 162.4 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.433 1.083 . . . . 0.0 110.366 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 194' ' ' TYR . . . . . 0.496 ' CG ' ' O ' ' A' ' 194' ' ' TYR . 10.5 t80 -61.92 82.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 111.054 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 27.1 t -142.44 21.55 2.03 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.543 1.152 . . . . 0.0 110.025 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -114.82 61.43 0.68 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.599 1.187 . . . . 0.0 109.312 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.58 -45.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -79.54 80.5 5.91 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 110.259 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 4.5 mtt180 -80.2 84.46 5.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' SER . . . . . 0.501 ' OG ' ' CG1' ' A' ' 203' ' ' VAL . 0.6 OUTLIER -150.15 129.1 12.56 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.571 1.169 . . . . 0.0 109.972 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.567 ' CG2' ' CE2' ' A' ' 230' ' ' TYR . 0.3 OUTLIER -135.47 -46.62 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.338 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -64.36 -40.67 96.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' VAL . . . . . 0.501 ' CG1' ' OG ' ' A' ' 200' ' ' SER . 6.3 p -80.33 -33.41 14.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.74 -52.58 16.97 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.564 HG13 ' CE1' ' A' ' 230' ' ' TYR . 5.7 mm -53.33 -57.41 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 4.0 p -43.37 -48.73 7.04 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.453 1.096 . . . . 0.0 110.06 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 5.2 mmt180 -66.46 -32.33 73.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.343 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 205' ' ' ILE . 13.6 mt -73.51 -36.06 65.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 209' ' ' ARG . . . . . 0.723 ' HG3' HG21 ' A' ' 222' ' ' ILE . 5.2 mtp-105 -68.44 -22.07 64.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -77.71 -58.68 3.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 211' ' ' MET . . . . . 0.664 ' HG3' HG13 ' A' ' 212' ' ' VAL . 8.5 ptp -49.48 -40.8 38.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 111.013 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 212' ' ' VAL . . . . . 0.664 HG13 ' HG3' ' A' ' 211' ' ' MET . 12.4 m -79.1 -36.09 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.596 1.185 . . . . 0.0 109.218 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.49 ' HG2' HG23 ' A' ' 212' ' ' VAL . 5.2 mm-40 -131.54 103.5 6.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 110.26 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -41.26 -33.3 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.254 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -104.62 105.44 50.36 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 109.251 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 54.43 3.69 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.506 1.793 . . . . 0.0 111.001 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -145.08 -46.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -117.13 80.9 12.25 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.608 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 219' ' ' PRO . . . . . 0.489 ' HA ' ' CG ' ' A' ' 213' ' ' GLU . 18.4 Cg_endo -74.94 -159.49 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.54 1.811 . . . . 0.0 111.03 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 220' ' ' ARG . . . . . 0.46 ' HD3' ' CE1' ' A' ' 221' ' ' TYR . 22.3 ttt85 -155.69 -51.9 0.08 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.576 1.173 . . . . 0.0 110.2 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.46 ' CE1' ' HD3' ' A' ' 220' ' ' ARG . 78.0 m-85 -101.73 19.37 18.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.432 1.083 . . . . 0.0 110.986 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 222' ' ' ILE . . . . . 0.723 HG21 ' HG3' ' A' ' 209' ' ' ARG . 27.2 mm -143.65 112.93 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 223' ' ' GLN . . . . . 0.821 ' O ' HG12 ' A' ' 231' ' ' VAL . 5.0 mt-30 -119.89 89.5 3.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.31 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 10.3 m -73.21 123.12 23.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.439 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 225' ' ' VAL . . . . . 0.643 HG12 ' H ' ' A' ' 228' ' ' LEU . 40.9 t -117.72 119.53 61.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.236 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 24.2 m95 -62.59 -47.71 82.6 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -56.67 -48.0 80.73 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.595 1.185 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . 0.643 ' H ' HG12 ' A' ' 225' ' ' VAL . 2.7 mm? -87.07 -81.58 0.23 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.556 0.797 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 229' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 169.83 -80.55 0.09 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.417 1.073 . . . . 0.0 110.94 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 230' ' ' TYR . . . . . 0.689 ' HB2' HD21 ' A' ' 185' ' ' LEU . 98.0 m-85 -152.08 118.73 5.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.575 0.809 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . 0.821 HG12 ' O ' ' A' ' 223' ' ' GLN . 4.8 p -119.84 151.7 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.47 ' HB2' HD22 ' A' ' 172' ' ' LEU . 32.0 t80 -120.11 98.37 6.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 233' ' ' VAL . . . . . 0.455 HG12 ' HA2' ' A' ' 236' ' ' GLY . 53.1 t -109.51 103.06 51.94 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.517 1.136 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 234' ' ' PRO . . . . . 0.49 ' O ' ' CB ' ' A' ' 235' ' ' ASP . 18.1 Cg_endo -74.95 132.54 15.61 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.544 1.813 . . . . 0.0 111.006 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 234' ' ' PRO . 2.3 t0 81.65 -54.35 0.26 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.442 1.089 . . . . 0.0 109.308 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 236' ' ' GLY . . . . . 0.455 ' HA2' HG12 ' A' ' 233' ' ' VAL . . . 112.62 127.37 4.78 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.505 1.128 . . . . 0.0 110.934 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 67.6 p -144.23 -62.75 0.38 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.541 0.789 . . . . 0.0 109.954 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -161.07 118.61 2.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.4 1.063 . . . . 0.0 109.352 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.327 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.402 ' C ' HG13 ' A' ' 137' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.617 HG23 ' N ' ' A' ' 138' ' ' ILE . 0.8 OUTLIER 50.58 -179.97 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.936 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.623 ' HB ' HD22 ' A' ' 145' ' ' LEU . 4.4 mp -142.73 115.94 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.418 1.074 . . . . 0.0 109.33 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.666 ' HB2' ' HG2' ' A' ' 144' ' ' LYS . . . -124.66 157.22 36.09 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.544 ' CD2' ' HB3' ' A' ' 143' ' ' PHE . 3.4 m-85 -122.74 -179.22 4.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.962 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -36.26 -64.96 0.54 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.573 1.171 . . . . 0.0 111.043 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.14 38.33 3.99 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.4 0.706 . . . . 0.0 109.248 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.565 ' CE2' ' HB2' ' A' ' 154' ' ' ARG . 1.8 t80 -139.63 166.26 25.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 111.008 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.666 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 0.1 OUTLIER -157.96 120.25 3.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.247 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.623 HD22 ' HB ' ' A' ' 138' ' ' ILE . 0.7 OUTLIER -133.32 156.05 48.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.616 1.197 . . . . 0.0 109.302 179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.497 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 49.3 t-20 -157.9 115.55 3.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.376 1.047 . . . . 0.0 109.312 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.587 HD13 ' CG ' ' A' ' 170' ' ' LYS . 10.0 mt -78.51 -38.19 41.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.435 1.084 . . . . 0.0 109.332 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -61.68 -20.02 58.96 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.623 1.202 . . . . 0.0 111.043 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 18.0 m -114.03 -30.27 6.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.431 0.724 . . . . 0.0 110.404 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.448 ' HG3' ' CD2' ' A' ' 166' ' ' PHE . 19.5 ttm180 71.47 43.24 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -147.13 114.46 6.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.29 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.738 ' SD ' HD11 ' A' ' 161' ' ' LEU . 5.0 ptm -129.21 152.64 48.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.572 1.17 . . . . 0.0 110.963 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.507 ' CD1' ' C ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -139.69 176.39 8.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.554 1.158 . . . . 0.0 110.966 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.565 ' HB2' ' CE2' ' A' ' 143' ' ' PHE . 13.4 ttt85 -160.06 120.01 2.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 110.228 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 47.71 56.3 7.31 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.442 1.088 . . . . 0.0 110.285 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.3 49.06 7.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.27 89.02 4.91 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.582 1.176 . . . . 0.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.493 ' HB3' ' CD1' ' A' ' 153' ' ' PHE . 18.2 Cg_endo -75.03 150.43 38.01 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.478 1.778 . . . . 0.0 111.023 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.32 136.44 8.11 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.637 1.211 . . . . 0.0 110.986 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 170.76 19.67 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.477 1.777 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.738 HD11 ' SD ' ' A' ' 152' ' ' MET . 25.8 mt -127.46 129.7 47.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.099 . . . . 0.0 109.364 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 3.0 p -77.76 168.49 19.86 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.405 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 167' ' ' ALA . 1.4 p -55.6 -56.59 18.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 109.946 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -51.87 -53.29 30.58 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.47 1.106 . . . . 0.0 110.925 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.844 ' HG2' HD21 ' A' ' 208' ' ' LEU . 43.0 mt-10 -62.78 -71.33 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.408 0.711 . . . . 0.0 110.319 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.56 ' CZ ' ' HE2' ' A' ' 170' ' ' LYS . 30.5 t80 -41.13 -45.08 2.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 110.956 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 163' ' ' SER . . . -64.73 -58.59 5.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.123 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . . . . . . . . . 2.6 t -49.69 -48.25 21.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.264 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.571 ' CD2' HD11 ' A' ' 145' ' ' LEU . 0.4 OUTLIER -64.71 -33.84 76.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . 0.587 ' CG ' HD13 ' A' ' 147' ' ' LEU . 5.5 mttm -60.75 -39.76 89.91 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.556 ' HB2' ' CA ' ' A' ' 189' ' ' ALA . . . -70.31 -44.27 68.61 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.575 1.172 . . . . 0.0 109.239 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.406 ' CD2' ' HB2' ' A' ' 232' ' ' PHE . 1.0 OUTLIER -64.58 -44.67 89.94 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.502 1.127 . . . . 0.0 109.244 -179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.564 HG11 HD13 ' A' ' 138' ' ' ILE . 80.1 t -73.85 -30.45 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 170' ' ' LYS . 2.1 m -55.41 -36.98 67.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -123.89 90.55 50.56 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.481 1.113 . . . . 0.0 109.603 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 120.51 6.1 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.44 1.758 . . . . 0.0 110.959 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 72.67 50.13 0.18 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.304 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.414 ' HA ' ' HD3' ' A' ' 179' ' ' PRO . 0.9 OUTLIER -159.44 131.21 4.09 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 110.303 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 179' ' ' PRO . . . . . 0.69 ' HB2' HD12 ' A' ' 228' ' ' LEU . 18.4 Cg_endo -75.06 164.25 33.62 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.563 1.823 . . . . 0.0 111.018 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.729 HD21 HD13 ' A' ' 188' ' ' LEU . 0.4 OUTLIER -162.31 112.44 1.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.85 142.65 8.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 110.088 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . 0.44 ' HG2' ' CD1' ' A' ' 201' ' ' ILE . 5.0 ttm180 -41.64 -31.0 0.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.374 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.43 -50.33 10.96 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.09 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 9.4 mmtt -57.76 -44.3 86.05 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.545 HD13 ' HB2' ' A' ' 230' ' ' TYR . 2.1 tt -57.65 -61.98 2.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 6.2 ttt -42.87 -45.5 4.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.363 1.039 . . . . 0.0 111.028 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 39.7 t-20 -69.03 -53.63 19.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.729 HD13 HD21 ' A' ' 180' ' ' LEU . 0.8 OUTLIER -50.52 -52.29 39.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 109.359 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . 0.556 ' CA ' ' HB2' ' A' ' 171' ' ' ALA . . . -42.79 -51.42 5.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.94 98.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 110.332 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -114.04 -38.35 1.15 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.435 1.084 . . . . 0.0 111.06 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.63 -59.64 0.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 0.759 . . . . 0.0 110.228 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 195' ' ' SER . 1.3 pt-20 -49.44 178.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 110.226 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 194' ' ' TYR . . . . . 0.443 ' O ' ' CD2' ' A' ' 194' ' ' TYR . 66.7 t80 -68.28 69.56 0.15 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.504 1.128 . . . . 0.0 111.046 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 193' ' ' GLU . 37.9 t -137.31 55.63 1.8 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.45 1.094 . . . . 0.0 110.022 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -132.06 -47.22 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 15.2 tpp -84.95 46.6 1.29 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -88.88 -69.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.306 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -174.79 -62.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.577 1.173 . . . . 0.0 110.294 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.91 165.77 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.561 1.163 . . . . 0.0 109.996 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.469 HG21 HD22 ' A' ' 185' ' ' LEU . 3.3 mt -76.14 -57.68 5.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.256 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' ASP . . . . . 0.439 ' N ' ' OH ' ' A' ' 230' ' ' TYR . 0.9 OUTLIER -40.0 -41.91 1.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.326 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 95.7 t -62.04 -53.06 52.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.356 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 204' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 208' ' ' LEU . 21.8 mm-40 -62.49 -43.57 98.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.361 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.503 HG21 ' OG1' ' A' ' 224' ' ' THR . 21.6 mm -43.98 -47.04 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 6.3 t -62.1 -58.97 5.82 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.606 1.191 . . . . 0.0 110.018 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 14.6 mtt-85 -54.12 -29.95 46.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 0.0 110.296 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . 0.844 HD21 ' HG2' ' A' ' 165' ' ' GLU . 3.6 mm? -77.87 -40.68 39.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 209' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 213' ' ' GLU . 2.7 ttm180 -58.37 -52.32 66.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.267 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.19 -25.62 67.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.245 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -56.25 10.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 111.035 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 212' ' ' VAL . . . . . 0.77 HG23 ' HG2' ' A' ' 213' ' ' GLU . 15.8 m -80.33 -27.72 11.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.196 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.77 ' HG2' HG23 ' A' ' 212' ' ' VAL . 37.3 mm-40 -114.74 -147.73 0.42 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.502 1.126 . . . . 0.0 110.348 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . 0.44 ' HG2' ' CD ' ' A' ' 216' ' ' PRO . 62.3 tt0 -172.35 -63.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 1.115 . . . . 0.0 110.296 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 215' ' ' ASP . . . . . 0.512 ' N ' ' CD ' ' A' ' 216' ' ' PRO . 0.4 OUTLIER 163.45 -52.25 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.353 -179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 216' ' ' PRO . . . . . 0.512 ' CD ' ' N ' ' A' ' 215' ' ' ASP . 18.4 Cg_endo -75.01 -2.86 13.09 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.464 1.77 . . . . 0.0 111.057 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 0.404 ' O ' ' O ' ' A' ' 218' ' ' HIS . . . -112.47 -17.89 12.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 109.345 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 218' ' ' HIS . . . . . 0.404 ' O ' ' O ' ' A' ' 217' ' ' ALA . 0.3 OUTLIER 61.33 143.67 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.618 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 219' ' ' PRO . . . . . 0.447 ' O ' ' NH1' ' A' ' 220' ' ' ARG . 18.5 Cg_endo -74.96 -159.63 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.418 1.746 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 220' ' ' ARG . . . . . 0.447 ' NH1' ' O ' ' A' ' 219' ' ' PRO . 0.1 OUTLIER 163.56 -45.35 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.519 1.137 . . . . 0.0 110.327 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.599 ' O ' ' CE2' ' A' ' 232' ' ' PHE . 87.5 m-85 -90.73 20.37 4.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 222' ' ' ILE . . . . . . . . . . . . . 32.3 mm -147.99 110.72 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -124.7 119.88 30.24 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.542 1.151 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 224' ' ' THR . . . . . 0.529 HG23 ' CD1' ' A' ' 230' ' ' TYR . 97.1 m -109.68 114.55 28.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.588 1.18 . . . . 0.0 110.459 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 225' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 229' ' ' GLY . 24.0 t -111.15 134.98 51.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.469 1.106 . . . . 0.0 109.325 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 9.2 m95 -75.32 -54.5 6.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 107.987 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -54.37 -27.67 41.16 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.496 1.122 . . . . 0.0 111.085 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . 0.69 HD12 ' HB2' ' A' ' 179' ' ' PRO . 1.3 mm? -105.63 -80.23 0.55 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.384 0.696 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 229' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 164.3 -86.08 0.1 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.47 1.106 . . . . 0.0 111.094 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 230' ' ' TYR . . . . . 0.545 ' HB2' HD13 ' A' ' 185' ' ' LEU . 48.4 m-85 -144.85 115.87 7.87 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.461 0.742 . . . . 0.0 110.946 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . 0.472 HG22 HG23 ' A' ' 233' ' ' VAL . 0.2 OUTLIER -119.45 145.8 25.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.599 ' CE2' ' O ' ' A' ' 221' ' ' TYR . 10.0 t80 -121.44 98.21 5.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.571 1.169 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 233' ' ' VAL . . . . . 0.472 HG23 HG22 ' A' ' 231' ' ' VAL . 93.7 t -101.75 107.83 53.46 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 109.262 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 118.55 5.3 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.506 1.792 . . . . 0.0 111.009 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 6.7 t70 46.09 92.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.574 1.172 . . . . 0.0 109.332 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -64.66 142.79 45.92 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.466 1.103 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 3.4 m -101.11 100.61 11.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.554 0.797 . . . . 0.0 109.959 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.99 132.96 11.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.098 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.641 1.213 . . . . 0.0 109.266 179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.406 ' O ' HG22 ' A' ' 137' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.673 HG23 ' N ' ' A' ' 138' ' ' ILE . 0.7 OUTLIER 49.46 -175.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.403 1.064 . . . . 0.0 109.344 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.673 ' N ' HG23 ' A' ' 137' ' ' VAL . 3.1 mp -145.91 118.02 2.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 O-C-N 124.572 1.17 . . . . 0.0 109.32 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.666 ' HB2' ' HG2' ' A' ' 144' ' ' LYS . . . -127.29 158.68 36.55 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.567 ' CD2' ' HB3' ' A' ' 143' ' ' PHE . 2.5 m-85 -121.3 -179.0 3.92 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.135 . . . . 0.0 111.011 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -36.19 -64.83 0.55 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.558 1.162 . . . . 0.0 111.044 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -121.5 37.68 4.28 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 0.747 . . . . 0.0 109.262 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.584 ' CZ ' HG12 ' A' ' 212' ' ' VAL . 2.4 t80 -137.29 170.9 15.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.554 1.159 . . . . 0.0 110.967 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.666 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -158.72 132.3 7.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.349 179.877 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.597 HD11 ' CD1' ' A' ' 161' ' ' LEU . 5.1 tt -146.71 157.41 43.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.571 1.169 . . . . 0.0 109.292 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.497 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 50.3 t-20 -159.03 126.73 4.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.1 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.581 HD23 ' HG3' ' A' ' 170' ' ' LYS . 2.2 mp -78.16 -50.97 10.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.34 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -52.32 -33.77 39.76 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.482 1.114 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . 0.432 HG22 ' HB2' ' A' ' 151' ' ' GLU . 4.0 m -101.57 -19.51 15.45 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.479 0.752 . . . . 0.0 110.426 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 146' ' ' ASN . 0.0 OUTLIER 52.53 50.95 17.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.231 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.432 ' HB2' HG22 ' A' ' 149' ' ' THR . 69.9 mt-10 -149.25 116.63 6.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.273 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.723 ' HG2' HD11 ' A' ' 161' ' ' LEU . 0.2 OUTLIER -123.7 152.83 41.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.123 . . . . 0.0 111.008 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.559 ' CE2' ' HD2' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -135.66 174.73 10.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 110.975 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.578 ' HB2' ' CE2' ' A' ' 143' ' ' PHE . 1.5 tmt_? -159.96 120.82 3.07 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.554 1.159 . . . . 0.0 110.267 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 49.47 54.03 11.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 59.89 59.48 2.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.46 93.0 1.12 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.265 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.517 ' HB3' ' CD1' ' A' ' 153' ' ' PHE . 18.5 Cg_endo -74.93 153.47 42.17 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.42 1.747 . . . . 0.0 111.047 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.92 135.05 6.8 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 111.064 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 156.86 43.12 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.546 1.814 . . . . 0.0 110.949 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.723 HD11 ' HG2' ' A' ' 152' ' ' MET . 65.7 mt -120.15 115.84 24.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 1.122 . . . . 0.0 109.311 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 165' ' ' GLU . 2.0 p -46.56 142.1 3.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 10.5 m -43.54 -35.64 1.77 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.947 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -71.83 -38.86 60.41 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.599 1.187 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.705 ' HG2' HD21 ' A' ' 208' ' ' LEU . 0.0 OUTLIER -61.47 -71.44 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.44 0.73 . . . . 0.0 110.288 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.567 ' CE1' ' HB2' ' A' ' 170' ' ' LYS . 0.3 OUTLIER -41.8 -38.31 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 110.964 179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -58.13 -63.03 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.566 1.166 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.451 HG13 ' CD2' ' A' ' 185' ' ' LEU . 9.4 t -55.2 -58.75 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.349 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 172' ' ' LEU . 1.9 tt -48.59 -53.19 19.38 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . 0.581 ' HG3' HD23 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -45.67 -55.98 5.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.445 1.091 . . . . 0.0 109.28 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -57.68 -31.67 66.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.252 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.597 HD11 ' HB3' ' A' ' 230' ' ' TYR . 5.2 tp -71.65 -48.93 44.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.586 1.179 . . . . 0.0 109.261 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.511 HG12 ' HA ' ' A' ' 170' ' ' LYS . 4.3 p -80.04 -0.33 3.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . 0.457 ' N ' ' O ' ' A' ' 170' ' ' LYS . 44.6 t -87.39 -36.09 17.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 110.069 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 30.6 m-70 -130.26 79.38 72.75 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.58 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . 0.469 ' O ' ' CB ' ' A' ' 177' ' ' ARG . 18.4 Cg_endo -74.93 146.08 32.54 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.467 1.772 . . . . 0.0 111.017 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.469 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 9.2 ttt180 81.51 -51.52 0.27 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.396 1.06 . . . . 0.0 110.287 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -82.31 114.12 48.98 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.459 1.1 . . . . 0.0 110.348 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 179' ' ' PRO . . . . . 0.572 ' HG2' HD22 ' A' ' 228' ' ' LEU . 18.1 Cg_endo -75.06 152.01 39.95 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.456 1.767 . . . . 0.0 110.958 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.472 ' O ' HD12 ' A' ' 185' ' ' LEU . 18.8 mt -142.78 117.21 9.66 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 109.305 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 184' ' ' LYS . 52.6 p -45.11 142.83 1.78 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.523 1.14 . . . . 0.0 109.954 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . 0.712 ' HA ' HD13 ' A' ' 185' ' ' LEU . 0.0 OUTLIER -44.66 -26.12 0.35 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.465 1.103 . . . . 0.0 110.297 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . 0.411 ' N ' ' C ' ' A' ' 181' ' ' SER . 1.1 m-20 -64.33 -43.84 93.4 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.558 1.161 . . . . 0.0 109.369 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 181' ' ' SER . 0.0 OUTLIER -67.04 -35.17 79.3 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.484 1.115 . . . . 0.0 109.292 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.712 HD13 ' HA ' ' A' ' 182' ' ' ARG . 0.7 OUTLIER -56.1 -67.01 0.33 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.102 . . . . 0.0 109.238 -179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . 0.401 ' HA ' ' HB3' ' A' ' 189' ' ' ALA . 25.7 ptm -55.53 -33.57 63.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.433 1.083 . . . . 0.0 110.915 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.69 -49.97 71.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.67 -49.14 22.45 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.31 1.006 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 191' ' ' GLY . . . -51.4 -60.03 3.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.092 . . . . 0.0 109.291 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 -63.9 76.92 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 189' ' ' ALA . . . -96.06 -59.81 1.04 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.542 1.151 . . . . 0.0 111.008 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -154.96 50.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.417 0.716 . . . . 0.0 110.278 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -173.03 169.64 4.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 110.318 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 194' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -92.09 66.32 4.9 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.53 1.144 . . . . 0.0 111.068 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 15.0 t -136.95 60.55 1.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.155 . . . . 0.0 109.993 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -154.42 -64.16 0.13 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 32.0 ttm -86.39 48.35 1.61 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 111.007 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -75.52 -57.37 3.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.32 -69.19 0.26 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.307 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' SER . . . . . 0.511 ' HB3' HG23 ' A' ' 203' ' ' VAL . 0.1 OUTLIER -179.12 134.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.051 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.476 ' CD1' ' HB2' ' A' ' 185' ' ' LEU . 2.6 mt -58.22 -57.03 12.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 0.0 109.277 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' ASP . . . . . 0.444 ' OD2' ' CZ2' ' A' ' 226' ' ' TRP . 0.2 OUTLIER -44.05 -44.47 7.45 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 124.452 1.095 . . . . 0.0 109.359 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 203' ' ' VAL . . . . . 0.511 HG23 ' HB3' ' A' ' 200' ' ' SER . 82.3 t -62.66 -59.47 4.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 204' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 207' ' ' ARG . 5.4 mt-30 -52.91 -56.3 16.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.593 1.183 . . . . 0.0 110.356 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.539 HG22 ' HD2' ' A' ' 209' ' ' ARG . 20.7 mm -40.31 -38.96 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.531 1.145 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 3.2 t -66.22 -50.12 64.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.578 1.174 . . . . 0.0 109.946 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 207' ' ' ARG . . . . . 0.429 ' N ' ' O ' ' A' ' 204' ' ' GLN . 0.1 OUTLIER -60.73 -30.07 69.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.346 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . 0.794 ' O ' HG22 ' A' ' 212' ' ' VAL . 20.4 mt -79.99 -30.89 39.76 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.49 1.119 . . . . 0.0 109.326 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 209' ' ' ARG . . . . . 0.539 ' HD2' HG22 ' A' ' 205' ' ' ILE . 0.0 OUTLIER -67.06 -55.82 12.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 21.2 ttt-85 -63.42 -35.03 79.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.555 1.159 . . . . 0.0 110.35 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -60.43 3.87 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.59 1.181 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 212' ' ' VAL . . . . . 0.794 HG22 ' O ' ' A' ' 208' ' ' LEU . 35.5 m -71.83 -30.21 36.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 109.326 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.774 ' HG2' HG23 ' A' ' 212' ' ' VAL . 5.5 mm-40 -115.27 93.36 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -45.34 -32.87 2.21 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.428 1.08 . . . . 0.0 110.315 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -49.64 162.53 0.44 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.317 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -38.28 1.66 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.531 1.806 . . . . 0.0 111.062 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -161.84 56.98 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.302 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 218' ' ' HIS . . . . . 0.407 ' N ' ' HD3' ' A' ' 219' ' ' PRO . 5.5 t-160 -134.07 64.79 67.49 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 0.0 109.559 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 219' ' ' PRO . . . . . 0.413 ' HA ' ' CG ' ' A' ' 213' ' ' GLU . 18.3 Cg_endo -75.06 -159.58 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.426 1.75 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.12 -47.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.338 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.657 ' O ' HD13 ' A' ' 222' ' ' ILE . 20.8 m-85 -91.01 18.9 6.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 111.087 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 222' ' ' ILE . . . . . 0.657 HD13 ' O ' ' A' ' 221' ' ' TYR . 19.6 mm -143.65 112.02 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.096 . . . . 0.0 109.287 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 223' ' ' GLN . . . . . 0.45 ' CB ' HG13 ' A' ' 231' ' ' VAL . 5.3 mm-40 -119.99 103.42 9.29 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 17.9 m -105.31 115.59 30.52 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.562 1.164 . . . . 0.0 110.419 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 225' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 229' ' ' GLY . 0.7 OUTLIER -121.82 105.55 16.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 109.35 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 226' ' ' TRP . . . . . 0.444 ' CZ2' ' OD2' ' A' ' 202' ' ' ASP . 68.0 m95 -50.44 -42.44 54.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 107.991 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -51.39 -20.46 5.23 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.478 1.111 . . . . 0.0 110.947 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . 0.572 HD22 ' HG2' ' A' ' 179' ' ' PRO . 4.2 mt -128.94 -78.29 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 229' ' ' GLY . . . . . 0.496 ' C ' ' CD1' ' A' ' 230' ' ' TYR . . . 179.68 -110.81 0.29 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.488 1.117 . . . . 0.0 110.964 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 230' ' ' TYR . . . . . 0.602 ' HB2' HD11 ' A' ' 185' ' ' LEU . 9.6 m-85 -139.5 117.16 11.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 0.75 . . . . 0.0 111.009 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . 0.453 HG21 ' O ' ' A' ' 177' ' ' ARG . 7.0 p -119.11 155.17 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.544 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 2.7 t80 -118.57 95.7 4.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.383 1.052 . . . . 0.0 110.977 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 233' ' ' VAL . . . . . 0.534 HG21 ' C ' ' A' ' 239' ' ' ALA . 45.2 t -112.43 97.65 40.8 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.441 1.088 . . . . 0.0 109.325 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 234' ' ' PRO . . . . . 0.56 ' HB3' ' CD2' ' A' ' 221' ' ' TYR . 18.5 Cg_endo -74.97 151.02 39.17 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.563 1.823 . . . . 0.0 111.108 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 5.2 t0 61.78 175.26 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -81.06 -150.78 7.49 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.47 1.107 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 1.8 t 61.97 111.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.481 0.753 . . . . 0.0 110.022 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.98 167.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.305 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 239' ' ' ALA . . . . . 0.534 ' C ' HG21 ' A' ' 233' ' ' VAL . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.276 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.501 ' C ' HG13 ' A' ' 137' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.824 ' C ' HD12 ' A' ' 138' ' ' ILE . 0.8 OUTLIER 54.55 168.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.824 HD12 ' C ' ' A' ' 137' ' ' VAL . 2.5 mp -136.92 113.45 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.319 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -119.01 154.1 33.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.56 ' CD1' ' HB2' ' A' ' 143' ' ' PHE . 5.0 m-85 -120.16 -179.4 3.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.134 . . . . 0.0 111.041 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -60.02 -13.91 29.11 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.455 1.097 . . . . 0.0 111.042 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -143.18 -48.09 0.31 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.505 0.768 . . . . 0.0 109.274 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.56 ' HB2' ' CD1' ' A' ' 140' ' ' PHE . 24.9 m-85 -74.85 158.08 34.02 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.518 1.136 . . . . 0.0 111.043 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 5.7 tttt -145.12 113.21 6.48 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.561 1.163 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.616 HD12 ' SD ' ' A' ' 152' ' ' MET . 3.6 tt -119.74 149.27 42.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.483 1.114 . . . . 0.0 109.231 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 64.7 t-20 -160.37 121.91 3.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.305 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.926 HD13 ' HG3' ' A' ' 170' ' ' LYS . 6.7 mt -84.38 -42.02 16.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.422 1.076 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -58.25 -22.29 49.84 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.521 1.138 . . . . 0.0 111.039 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 52.1 m -113.02 -12.81 13.17 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 0.771 . . . . 0.0 110.376 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 11.9 ttm180 50.43 51.85 16.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.326 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 153' ' ' PHE . 1.5 mt-10 -146.88 115.83 6.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.166 . . . . 0.0 110.361 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.616 ' SD ' HD12 ' A' ' 145' ' ' LEU . 3.5 ttt -119.93 145.62 46.56 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.962 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.664 ' CD1' ' N ' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -156.63 156.85 34.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 111.013 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.513 ' CG ' ' O ' ' A' ' 154' ' ' ARG . 12.1 ptt85 -130.4 104.3 7.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 110.247 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.509 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 0.6 OUTLIER 88.28 -31.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 0.0 110.3 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 155' ' ' GLU . 3.7 m-20 161.14 -28.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.2 113.36 7.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 139.47 24.46 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.522 1.801 . . . . 0.0 111.032 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . 0.471 ' CE ' ' SD ' ' A' ' 211' ' ' MET . 1.5 ptm -158.13 111.26 1.73 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . 0.619 ' O ' HD23 ' A' ' 161' ' ' LEU . 18.3 Cg_endo -74.95 -177.45 3.47 Favored 'Trans proline' 0 C--N 1.362 1.252 0 O-C-N 124.459 1.768 . . . . 0.0 111.038 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.794 HD22 HD22 ' A' ' 208' ' ' LEU . 89.5 mt -137.11 111.17 8.32 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -48.66 158.44 0.3 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.53 1.144 . . . . 0.0 110.395 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 29.2 m -45.98 -54.88 7.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.052 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.417 ' HA2' ' CB ' ' A' ' 195' ' ' SER . . . -54.65 -48.66 64.64 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.572 1.17 . . . . 0.0 110.995 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.49 ' HG2' HD21 ' A' ' 208' ' ' LEU . 5.5 mt-10 -61.95 -67.44 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 0.745 . . . . 0.0 110.363 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 147' ' ' LEU . 2.9 t80 -42.63 -48.24 5.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 111.035 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.569 ' HB3' ' OG ' ' A' ' 195' ' ' SER . . . -53.29 -63.41 1.16 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.601 ' O ' ' HB3' ' A' ' 171' ' ' ALA . 5.3 t -45.87 -55.65 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.545 HD11 ' CD1' ' A' ' 145' ' ' LEU . 8.2 tt -52.41 -57.45 9.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . 0.926 ' HG3' HD13 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -46.11 -35.5 5.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 0.0 109.273 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.601 ' HB3' ' O ' ' A' ' 168' ' ' VAL . . . -66.85 -50.41 62.63 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 109.257 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.518 HD22 ' HB2' ' A' ' 232' ' ' PHE . 0.3 OUTLIER -64.37 -41.35 96.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 56.0 t -77.33 -14.45 14.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.47 1.106 . . . . 0.0 109.322 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . 0.498 ' CB ' ' O ' ' A' ' 170' ' ' LYS . 1.1 m -77.74 -15.27 59.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.949 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -147.39 91.43 5.05 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.558 1.161 . . . . 0.0 109.528 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.89 148.88 36.44 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.564 1.823 . . . . 0.0 111.041 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 5.1 ttt-85 50.29 30.65 4.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.98 106.17 12.55 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 0.0 110.3 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 179' ' ' PRO . . . . . 0.439 ' HB2' HD12 ' A' ' 228' ' ' LEU . 18.3 Cg_endo -74.98 144.45 30.35 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.545 1.813 . . . . 0.0 110.985 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 3.1 mt -137.69 163.7 30.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.377 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . 0.475 ' O ' HD23 ' A' ' 185' ' ' LEU . 29.7 p -90.17 148.6 22.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.096 . . . . 0.0 110.039 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . 0.454 ' HB3' ' CD1' ' A' ' 201' ' ' ILE . 1.2 mpp_? -50.93 -28.06 8.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 110.357 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . 0.417 ' O ' ' CB ' ' A' ' 187' ' ' ASN . 4.1 t0 -71.01 -28.87 64.73 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.48 1.113 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 181' ' ' SER . 1.1 mmtt -76.83 -19.55 57.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.534 HD12 HG21 ' A' ' 201' ' ' ILE . 1.0 OUTLIER -71.65 -58.26 3.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.246 -179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . 0.408 ' HB2' ' HB1' ' A' ' 196' ' ' ALA . 5.0 ppp? -71.37 -33.79 69.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 111.04 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 190' ' ' ARG . 12.2 t-20 -61.88 -63.49 1.24 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.367 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -48.13 -38.23 17.32 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.413 1.071 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . 0.591 ' O ' ' HB2' ' A' ' 196' ' ' ALA . . . -97.29 36.9 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.334 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . 0.427 ' N ' ' O ' ' A' ' 187' ' ' ASN . 46.0 ttt180 -106.92 90.8 3.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.283 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . 177.42 -148.29 8.7 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.578 1.174 . . . . 0.0 110.973 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -70.08 65.47 0.25 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 0.789 . . . . 0.0 110.371 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 195' ' ' SER . 3.8 tt0 -171.18 102.54 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 194' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -66.57 70.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . 0.569 ' OG ' ' HB3' ' A' ' 167' ' ' ALA . 2.0 t -125.59 -43.41 1.89 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.45 1.094 . . . . 0.0 109.948 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.591 ' HB2' ' O ' ' A' ' 189' ' ' ALA . . . -68.3 -51.95 39.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.438 1.087 . . . . 0.0 109.219 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 26.7 ttm -83.19 58.47 4.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.48 -59.84 1.85 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.475 1.109 . . . . 0.0 110.248 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 199' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' A' ' 200' ' ' SER . 0.0 OUTLIER 165.69 81.29 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.214 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 199' ' ' ARG . 0.9 OUTLIER 53.0 173.2 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.44 1.088 . . . . 0.0 109.952 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.534 HG21 HD12 ' A' ' 185' ' ' LEU . 0.9 OUTLIER -109.42 -64.78 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 109.355 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 201' ' ' ILE . 0.5 OUTLIER -36.41 -33.87 0.05 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.29 179.916 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 203' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 201' ' ' ILE . 54.1 t -60.62 -61.27 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 204' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 201' ' ' ILE . 2.0 mt-30 -61.35 -28.78 69.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 110.342 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.475 ' CD1' HG22 ' A' ' 201' ' ' ILE . 0.6 OUTLIER -56.71 -63.58 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.463 1.102 . . . . 0.0 109.25 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . 0.432 ' N ' HG22 ' A' ' 205' ' ' ILE . 73.6 p -50.72 -31.87 17.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.044 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -71.06 -51.77 23.34 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.353 1.033 . . . . 0.0 110.246 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . 0.794 HD22 HD22 ' A' ' 161' ' ' LEU . 53.9 mt -67.86 -28.92 67.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.267 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 209' ' ' ARG . . . . . 0.463 ' NH2' ' CB ' ' A' ' 208' ' ' LEU . 6.8 mmp_? -80.3 -41.24 25.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.284 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -64.09 -18.7 64.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.267 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 211' ' ' MET . . . . . 0.471 ' SD ' ' CE ' ' A' ' 159' ' ' MET . 4.4 ttm -73.77 -62.16 1.59 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.505 1.128 . . . . 0.0 110.984 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 212' ' ' VAL . . . . . 0.589 HG23 ' HG2' ' A' ' 213' ' ' GLU . 30.2 m -76.74 -33.99 22.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.418 1.073 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.589 ' HG2' HG23 ' A' ' 212' ' ' VAL . 66.9 mm-40 -112.75 90.12 3.26 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.514 1.134 . . . . 0.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.26 52.69 1.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 110.269 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -117.2 110.59 41.12 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.464 1.102 . . . . 0.0 109.371 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 56.32 4.22 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.524 1.802 . . . . 0.0 110.961 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -151.43 -48.46 0.11 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER 169.51 150.58 0.13 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 109.579 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -159.55 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.554 1.818 . . . . 0.0 111.015 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 220' ' ' ARG . . . . . 0.537 ' HG3' ' CD2' ' A' ' 221' ' ' TYR . 7.7 ptp180 -133.67 -45.26 0.81 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.574 1.171 . . . . 0.0 110.367 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.575 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 75.2 m-85 -87.44 18.32 3.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.465 1.103 . . . . 0.0 111.065 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 222' ' ' ILE . . . . . 0.56 HD11 ' CD2' ' A' ' 232' ' ' PHE . 5.5 mm -151.87 117.47 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.107 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 223' ' ' GLN . . . . . 0.5 ' O ' HG12 ' A' ' 231' ' ' VAL . 73.3 mm-40 -122.94 106.1 10.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 110.255 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 22.1 m -70.08 117.95 12.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.421 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 225' ' ' VAL . . . . . 0.464 ' O ' ' N ' ' A' ' 229' ' ' GLY . 62.4 t -116.88 116.95 53.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 46.3 m95 -55.45 -56.94 14.43 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.471 1.107 . . . . 0.0 108.04 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -46.1 -39.48 9.28 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.511 1.132 . . . . 0.0 110.941 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . 0.457 ' H ' HG12 ' A' ' 225' ' ' VAL . 1.5 mm? -101.92 -93.4 0.3 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.466 0.745 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 229' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 174.29 -75.44 0.08 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.148 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 230' ' ' TYR . . . . . 0.417 ' OH ' ' N ' ' A' ' 202' ' ' ASP . 70.7 m-85 -144.38 119.58 10.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.573 0.808 . . . . 0.0 110.973 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . 0.5 HG12 ' O ' ' A' ' 223' ' ' GLN . 2.4 p -119.08 144.21 28.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 2.6 t80 -119.96 97.97 5.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.956 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 233' ' ' VAL . . . . . 0.632 HG13 ' HD2' ' A' ' 234' ' ' PRO . 76.6 t -118.64 141.12 29.35 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 234' ' ' PRO . . . . . 0.632 ' HD2' HG13 ' A' ' 233' ' ' VAL . 18.2 Cg_endo -75.05 128.18 11.24 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.488 1.783 . . . . 0.0 110.972 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 42.7 88.93 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.419 1.074 . . . . 0.0 109.334 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -164.5 173.17 40.42 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.51 1.131 . . . . 0.0 110.922 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 237' ' ' SER . . . . . 0.411 ' HA ' ' NE2' ' A' ' 223' ' ' GLN . 0.4 OUTLIER -160.92 106.28 1.4 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.547 0.793 . . . . 0.0 110.004 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.79 107.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.145 . . . . 0.0 109.278 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.535 ' C ' HG13 ' A' ' 137' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.335 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.725 ' C ' HD12 ' A' ' 138' ' ' ILE . 1.3 m 54.73 174.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.57 1.169 . . . . 0.0 109.323 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.725 HD12 ' C ' ' A' ' 137' ' ' VAL . 3.6 mp -126.6 107.05 16.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . . . . . . . . . . . -123.83 148.46 46.72 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.403 1.065 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.711 ' CD2' ' CE2' ' A' ' 221' ' ' TYR . 10.4 p90 -152.76 80.75 1.22 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 111.015 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 140' ' ' PHE . . . 55.79 112.91 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.69 -60.37 0.47 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.475 0.75 . . . . 0.0 109.294 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.7 ' CG ' ' CE2' ' A' ' 140' ' ' PHE . 75.4 m-85 -65.9 147.23 53.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.95 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -160.27 113.28 2.09 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.62 HD21 ' CD2' ' A' ' 147' ' ' LEU . 8.9 tt -119.12 149.44 41.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.569 ' OD1' HG12 ' A' ' 137' ' ' VAL . 48.3 t30 -151.47 113.39 4.48 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.455 1.097 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.729 HD13 ' HG2' ' A' ' 170' ' ' LYS . 12.2 mt -78.56 -36.68 44.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.511 1.132 . . . . 0.0 109.247 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -55.49 -24.54 39.01 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.471 1.107 . . . . 0.0 110.923 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 18.8 m -115.98 -12.03 11.39 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 0.771 . . . . 0.0 110.428 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 57.46 48.72 14.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -150.13 121.0 7.61 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.311 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.412 ' SD ' ' C ' ' A' ' 152' ' ' MET . 0.4 OUTLIER -126.23 151.85 46.86 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.484 ' HA ' ' O ' ' A' ' 157' ' ' GLU . 0.0 OUTLIER -148.65 174.8 11.77 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.553 1.158 . . . . 0.0 111.044 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.57 ' HG3' ' CE1' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -153.33 91.95 1.55 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.115 . . . . 0.0 110.288 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 61.47 72.26 0.52 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.57 1.169 . . . . 0.0 110.363 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 56.03 68.69 0.83 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.17 . . . . 0.0 109.309 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.484 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 44.1 tt0 -159.98 91.79 1.75 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 119.65 5.75 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.557 1.82 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . 0.401 ' SD ' ' SD ' ' A' ' 152' ' ' MET . 3.2 ptp -149.98 122.36 4.22 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -175.79 2.54 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.483 1.78 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 5.5 mt -141.15 99.71 3.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.256 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . 0.478 HG23 ' H ' ' A' ' 165' ' ' GLU . 12.9 t -39.26 155.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.387 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.8 m -46.98 -43.56 19.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.041 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.797 ' O ' HG23 ' A' ' 168' ' ' VAL . . . -56.81 -60.13 9.57 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.48 1.112 . . . . 0.0 111.047 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.524 ' HB3' HD21 ' A' ' 208' ' ' LEU . 25.2 mt-10 -57.3 -64.99 0.7 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.416 0.715 . . . . 0.0 110.257 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.521 ' CE1' ' HG3' ' A' ' 170' ' ' LYS . 6.0 t80 -42.52 -45.67 4.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -63.02 -47.0 84.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.797 HG23 ' O ' ' A' ' 164' ' ' GLY . 95.9 t -63.26 -56.97 14.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 1.015 HD23 HD22 ' A' ' 208' ' ' LEU . 0.2 OUTLIER -57.12 -27.84 62.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.112 . . . . 0.0 109.365 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . 0.729 ' HG2' HD13 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -63.59 -53.39 52.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.28 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -54.53 -53.28 56.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.463 HD22 ' HB2' ' A' ' 232' ' ' PHE . 0.5 OUTLIER -54.49 -45.81 73.3 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.615 1.197 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 25.1 t -70.37 -20.63 22.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 109.256 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 170' ' ' LYS . 1.0 OUTLIER -80.08 -20.35 45.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.622 1.201 . . . . 0.0 110.01 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . 0.552 ' CD2' ' HG3' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -138.88 85.7 16.13 Favored Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.555 1.16 . . . . 0.0 109.595 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 122.91 7.48 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.4 1.737 . . . . 0.0 111.018 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 73.53 29.98 1.51 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.552 ' HG3' ' CD2' ' A' ' 175' ' ' HIS . 6.1 mm-40 -131.74 107.35 14.16 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.552 1.157 . . . . 0.0 110.308 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 179' ' ' PRO . . . . . 0.604 ' HB2' HD12 ' A' ' 228' ' ' LEU . 18.5 Cg_endo -75.0 124.03 8.32 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.475 1.776 . . . . 0.0 111.036 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 2.5 mp -132.78 117.27 17.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.502 1.126 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 90.6 p -44.5 146.65 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.044 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . 0.661 ' HB2' HD12 ' A' ' 201' ' ' ILE . 0.0 OUTLIER -49.78 -25.22 2.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 110.298 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.78 -32.63 73.33 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.52 -36.97 60.42 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.718 ' CD2' HG13 ' A' ' 168' ' ' VAL . 2.6 mp -55.04 -64.79 0.72 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.451 1.094 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . 0.63 ' HB2' ' HB1' ' A' ' 196' ' ' ALA . 2.3 ppp? -54.97 -35.78 64.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 110.991 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -52.47 -41.91 63.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 42.0 tp -73.14 -32.08 64.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -96.87 27.96 3.73 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.37 89.99 3.23 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -157.23 52.33 0.41 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 63.98 57.62 1.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 0.747 . . . . 0.0 110.358 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -154.41 138.28 16.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.539 1.149 . . . . 0.0 110.318 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 194' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -84.35 79.16 9.65 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.416 1.072 . . . . 0.0 111.05 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -139.65 -47.51 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.946 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.63 ' HB1' ' HB2' ' A' ' 186' ' ' MET . . . -57.31 -48.31 79.26 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.465 1.103 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -93.94 60.52 2.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 111.035 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.67 -57.02 3.02 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 9.8 ttm105 -174.29 46.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.078 . . . . 0.0 110.258 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.87 141.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.516 1.135 . . . . 0.0 110.035 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.661 HD12 ' HB2' ' A' ' 182' ' ' ARG . 27.0 mt -70.18 -54.59 18.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.131 . . . . 0.0 109.386 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 201' ' ' ILE . 3.0 t0 -40.22 -59.29 1.3 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 43.1 t -51.03 -58.3 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 109.219 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 204' ' ' GLN . . . . . 0.449 ' O ' ' N ' ' A' ' 208' ' ' LEU . 0.0 OUTLIER -50.87 -60.22 3.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 110.277 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.492 HG13 ' CD2' ' A' ' 230' ' ' TYR . 8.2 mm -42.82 -51.7 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 3.6 m -54.45 -41.9 69.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.017 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 207' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 204' ' ' GLN . 20.5 mmt85 -76.07 -22.01 56.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 110.226 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . 1.015 HD22 HD23 ' A' ' 169' ' ' LEU . 1.2 mt -80.38 -54.84 5.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 209' ' ' ARG . . . . . 0.694 ' HB3' HG21 ' A' ' 222' ' ' ILE . 0.0 OUTLIER -61.63 -24.38 66.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.152 . . . . 0.0 110.335 179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -74.08 -43.06 59.09 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 0.0 110.339 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 10.5 mtp -60.72 -52.19 66.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.08 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 212' ' ' VAL . . . . . . . . . . . . . 20.3 m -70.96 -44.39 75.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.218 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -129.14 99.95 5.44 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 0.0 110.399 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -86.54 54.11 3.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 110.308 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -102.8 114.05 65.52 Favored Pre-proline 0 C--N 1.327 -0.409 0 O-C-N 124.396 1.06 . . . . 0.0 109.259 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.92 56.01 4.08 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.538 1.809 . . . . 0.0 111.029 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -158.62 -59.35 0.07 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.587 1.18 . . . . 0.0 109.285 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 218' ' ' HIS . . . . . 0.417 ' HA ' ' HD3' ' A' ' 219' ' ' PRO . 1.1 p80 -174.86 138.78 0.62 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.583 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 219' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 218' ' ' HIS . 18.5 Cg_endo -74.99 -159.67 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.54 1.811 . . . . 0.0 111.01 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.35 -53.44 0.73 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.287 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.711 ' CE2' ' CD2' ' A' ' 140' ' ' PHE . 13.5 m-85 -88.85 22.03 2.84 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.474 1.109 . . . . 0.0 110.978 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 222' ' ' ILE . . . . . 0.694 HG21 ' HB3' ' A' ' 209' ' ' ARG . 17.7 mm -141.28 114.27 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 109.23 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 223' ' ' GLN . . . . . 0.668 ' HB2' HG13 ' A' ' 231' ' ' VAL . 5.7 mm-40 -119.59 105.45 11.22 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.558 1.161 . . . . 0.0 110.257 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 54.9 m -112.56 112.36 23.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.585 1.178 . . . . 0.0 110.368 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 225' ' ' VAL . . . . . 0.478 ' O ' ' N ' ' A' ' 229' ' ' GLY . 18.6 m -122.61 115.94 47.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 109.311 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 1.5 t-105 -65.57 -22.15 66.67 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.981 -1.118 . . . . 0.0 107.981 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -71.21 -16.91 75.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.468 1.105 . . . . 0.0 111.056 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . 0.604 HD12 ' HB2' ' A' ' 179' ' ' PRO . 0.1 OUTLIER -131.88 -69.81 0.59 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 0.751 . . . . 0.0 109.262 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 229' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 172.91 -112.24 0.42 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.52 1.137 . . . . 0.0 111.048 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 230' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 182' ' ' ARG . 24.6 m-85 -140.47 113.87 8.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 0.757 . . . . 0.0 110.992 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . 0.668 HG13 ' HB2' ' A' ' 223' ' ' GLN . 13.1 p -119.5 154.97 22.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.565 ' CZ ' ' HB3' ' A' ' 221' ' ' TYR . 4.2 t80 -120.11 97.81 5.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.954 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 93.4 t -110.26 99.74 41.36 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.225 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 234' ' ' PRO . . . . . 0.567 ' HB3' ' CD2' ' A' ' 221' ' ' TYR . 18.4 Cg_endo -75.01 147.6 34.11 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.438 1.757 . . . . 0.0 111.004 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 64.24 174.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.409 1.068 . . . . 0.0 109.322 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -108.25 -155.13 17.94 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.536 1.148 . . . . 0.0 110.968 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 1.4 m 63.77 99.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 109.966 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.52 177.18 5.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 109.363 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.453 1.096 . . . . 0.0 109.295 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.495 ' O ' HG22 ' A' ' 137' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.62 HG12 ' CG ' ' A' ' 146' ' ' ASN . 0.7 OUTLIER 50.72 174.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.758 ' HB ' HD22 ' A' ' 145' ' ' LEU . 4.4 mp -134.31 111.19 14.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.37 1.044 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.647 ' HB2' ' HG2' ' A' ' 144' ' ' LYS . . . -121.01 156.43 32.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.603 ' HE1' HG22 ' A' ' 138' ' ' ILE . 2.3 m-85 -122.08 -179.59 4.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -37.86 -67.32 0.5 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.558 1.162 . . . . 0.0 111.036 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -116.31 38.33 3.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 0.806 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.571 ' HB3' ' CD2' ' A' ' 140' ' ' PHE . 1.6 t80 -141.42 166.48 24.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.104 . . . . 0.0 110.972 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.647 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 1.0 OUTLIER -157.47 124.78 5.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.548 1.155 . . . . 0.0 109.289 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 1.08 HD21 ' CD1' ' A' ' 147' ' ' LEU . 0.4 OUTLIER -139.99 158.42 44.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.741 ' N ' HD23 ' A' ' 145' ' ' LEU . 52.5 t-20 -158.08 117.47 3.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.245 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 1.08 ' CD1' HD21 ' A' ' 145' ' ' LEU . 7.1 mp -77.15 -46.63 22.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.123 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -52.93 -20.12 7.9 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.457 1.098 . . . . 0.0 110.979 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . 0.404 ' O ' ' CB ' ' A' ' 150' ' ' ARG . 4.3 m -113.03 -36.14 5.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 0.746 . . . . 0.0 110.398 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.492 ' HG3' ' CD2' ' A' ' 166' ' ' PHE . 0.1 OUTLIER 77.88 40.2 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 0.0 110.294 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 38.2 mm-40 -144.19 114.09 7.28 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.574 1.172 . . . . 0.0 110.327 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.758 ' HG2' HD11 ' A' ' 161' ' ' LEU . 0.1 OUTLIER -126.8 152.93 46.29 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 111.011 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.516 ' CD1' ' N ' ' A' ' 153' ' ' PHE . 0.1 OUTLIER -128.61 173.73 10.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.394 1.059 . . . . 0.0 111.04 179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.566 ' HB3' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -159.76 121.14 3.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 110.264 -179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 54.01 41.1 32.16 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.571 1.169 . . . . 0.0 110.3 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 4.5 t70 70.11 50.67 0.43 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 1.152 . . . . 0.0 109.317 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 0.1 OUTLIER -154.43 104.11 2.38 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.411 1.07 . . . . 0.0 110.202 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.11 139.46 24.04 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.508 1.794 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . 0.465 ' CG ' ' SD ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -140.23 145.16 40.38 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 111.028 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.15 174.09 13.39 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.487 1.782 . . . . 0.0 110.914 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.758 HD11 ' HG2' ' A' ' 152' ' ' MET . 8.7 mt -134.72 111.06 9.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.461 1.101 . . . . 0.0 109.348 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . 0.565 HG22 ' H ' ' A' ' 164' ' ' GLY . 7.2 m -62.34 143.13 57.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.396 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 10.5 m -40.08 -37.02 0.55 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.958 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.565 ' H ' HG22 ' A' ' 162' ' ' THR . . . -70.36 -56.26 7.91 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.503 1.127 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.863 ' HB3' HD21 ' A' ' 208' ' ' LEU . 6.6 mt-10 -54.1 -63.21 1.22 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.36 0.682 . . . . 0.0 110.238 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.529 ' CE2' ' HA ' ' A' ' 147' ' ' LEU . 5.8 t80 -46.54 -53.53 11.16 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -55.49 -60.92 2.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.657 HG22 HD13 ' A' ' 201' ' ' ILE . 37.9 t -50.8 -60.38 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.541 1.151 . . . . 0.0 109.284 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.72 HD13 HD22 ' A' ' 208' ' ' LEU . 0.8 OUTLIER -49.89 -45.06 50.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . 0.598 ' HG3' HD23 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -52.85 -58.97 5.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 109.254 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.423 ' HA ' HD22 ' A' ' 188' ' ' LEU . . . -57.24 -23.92 51.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.637 HD13 HD21 ' A' ' 185' ' ' LEU . 6.4 tp -79.49 -49.53 12.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.284 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.509 HG12 ' HA ' ' A' ' 170' ' ' LYS . 5.5 p -80.04 0.15 3.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 109.25 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . 0.455 ' N ' ' O ' ' A' ' 170' ' ' LYS . 40.7 t -84.23 -28.25 27.39 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.451 1.095 . . . . 0.0 110.018 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -125.35 92.37 47.17 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.521 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 132.57 15.53 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.456 1.766 . . . . 0.0 110.992 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.424 ' O ' HG21 ' A' ' 231' ' ' VAL . 0.4 OUTLIER 72.87 -58.32 0.6 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.274 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -57.28 109.45 1.75 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.549 1.155 . . . . 0.0 110.344 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 179' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 140.58 25.51 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.508 1.794 . . . . 0.0 111.0 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.614 HD23 ' HB3' ' A' ' 184' ' ' LYS . 2.8 mp -124.56 154.31 40.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . 0.66 ' O ' HD12 ' A' ' 185' ' ' LEU . 51.8 p -74.54 161.08 30.09 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.548 1.155 . . . . 0.0 109.984 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.45 -37.88 63.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.295 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.84 -49.46 38.17 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . 0.614 ' HB3' HD23 ' A' ' 180' ' ' LEU . 11.0 mmtm -49.2 -27.14 3.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.064 . . . . 0.0 109.237 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 181' ' ' SER . 2.6 mp -70.56 -62.64 1.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.362 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . 0.407 ' HG3' ' N ' ' A' ' 187' ' ' ASN . 1.7 ppp? -64.93 -18.37 65.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.59 1.182 . . . . 0.0 111.016 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . 0.407 ' N ' ' HG3' ' A' ' 186' ' ' MET . 2.5 t30 -79.86 -53.47 6.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.523 1.14 . . . . 0.0 109.384 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 171' ' ' ALA . 9.8 tt -51.51 -54.0 31.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.319 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -49.78 -58.98 4.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.81 89.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.26 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -117.92 129.28 8.18 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.41 1.069 . . . . 0.0 111.043 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -84.94 53.34 2.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 0.784 . . . . 0.0 110.357 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -176.86 53.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 194' ' ' TYR . . . . . 0.41 ' CE2' ' HG2' ' A' ' 198' ' ' GLU . 17.1 t80 37.57 61.67 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.937 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 30.7 t -142.47 75.46 1.49 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.032 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -173.4 -41.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 197' ' ' MET . . . . . 0.443 ' HE3' ' O ' ' A' ' 199' ' ' ARG . 0.0 OUTLIER -143.95 65.57 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.083 . . . . 0.0 110.966 179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 198' ' ' GLU . . . . . 0.41 ' HG2' ' CE2' ' A' ' 194' ' ' TYR . 1.8 tt0 -56.74 -42.73 79.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 199' ' ' ARG . . . . . 0.443 ' O ' ' HE3' ' A' ' 197' ' ' MET . 0.4 OUTLIER -131.51 -55.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.28 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.27 148.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.572 1.17 . . . . 0.0 110.014 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.657 HD13 HG22 ' A' ' 168' ' ' VAL . 2.5 mm -61.65 -59.11 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.405 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -46.36 -31.15 2.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 69.7 t -79.7 -50.39 18.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.496 1.122 . . . . 0.0 109.401 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 204' ' ' GLN . . . . . 0.454 ' CB ' HG21 ' A' ' 168' ' ' VAL . 1.3 tp60 -59.32 -38.82 81.24 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 110.296 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.483 HG13 ' CD1' ' A' ' 230' ' ' TYR . 21.3 mm -63.12 -62.41 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.366 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 3.9 t -44.99 -53.25 7.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.043 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 28.1 mmt180 -58.19 -27.59 64.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.342 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . 0.863 HD21 ' HB3' ' A' ' 165' ' ' GLU . 15.8 mt -80.13 -54.56 5.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 209' ' ' ARG . . . . . 0.694 ' HG2' HG21 ' A' ' 222' ' ' ILE . 19.1 mtm105 -42.47 -47.65 5.09 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.358 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.04 -34.5 73.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 211' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 208' ' ' LEU . 0.0 OUTLIER -69.05 -57.31 5.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 111.004 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 212' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 208' ' ' LEU . 34.9 m -72.1 -35.6 53.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.41 ' N ' ' O ' ' A' ' 209' ' ' ARG . 14.4 mm-40 -128.1 92.75 3.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.325 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 11.5 pm0 -80.03 54.11 1.84 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.5 1.125 . . . . 0.0 110.306 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -116.55 108.33 45.34 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 109.245 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 55.46 3.98 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.57 1.826 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -154.01 -58.74 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.444 1.09 . . . . 0.0 109.252 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 218' ' ' HIS . . . . . 0.421 ' HA ' ' HD3' ' A' ' 219' ' ' PRO . 5.1 t60 -177.22 136.75 0.4 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 109.641 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 219' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 218' ' ' HIS . 18.2 Cg_endo -75.02 -159.57 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.44 1.758 . . . . 0.0 110.989 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -148.7 -46.88 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.425 1.078 . . . . 0.0 110.348 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.678 ' O ' HD13 ' A' ' 222' ' ' ILE . 34.5 m-85 -88.46 20.19 3.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 222' ' ' ILE . . . . . 0.694 HG21 ' HG2' ' A' ' 209' ' ' ARG . 16.8 mm -143.6 115.59 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.56 1.163 . . . . 0.0 109.323 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 223' ' ' GLN . . . . . 0.517 ' O ' HG12 ' A' ' 231' ' ' VAL . 0.7 OUTLIER -119.45 93.12 3.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 224' ' ' THR . . . . . 0.566 HG23 ' CE1' ' A' ' 230' ' ' TYR . 36.3 m -84.41 119.03 24.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.377 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 225' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 229' ' ' GLY . 30.1 m -129.47 125.57 61.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 6.4 m-90 -66.1 -46.42 77.72 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -44.81 -25.52 0.94 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -125.18 -80.95 0.62 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.561 0.801 . . . . 0.0 109.304 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 229' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 176.55 -91.29 0.08 OUTLIER Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.477 1.111 . . . . 0.0 111.046 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 230' ' ' TYR . . . . . 0.642 ' CE2' HG22 ' A' ' 201' ' ' ILE . 83.8 m-85 -149.91 121.84 8.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 111.003 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 223' ' ' GLN . 4.8 p -119.36 155.31 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.62 ' CD2' HD23 ' A' ' 172' ' ' LEU . 1.5 t80 -119.71 98.56 6.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 54.0 t -109.11 101.06 43.45 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.448 1.092 . . . . 0.0 109.275 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 234' ' ' PRO . . . . . 0.498 ' HA ' ' CD2' ' A' ' 221' ' ' TYR . 18.3 Cg_endo -75.07 -177.8 3.74 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.42 1.747 . . . . 0.0 111.06 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.42 88.87 7.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.427 1.079 . . . . 0.0 109.235 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -155.65 -154.34 6.91 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.408 1.068 . . . . 0.0 110.987 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 23.9 p -153.24 -58.75 0.13 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.559 0.8 . . . . 0.0 110.032 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.51 -66.27 0.92 Allowed 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.493 1.12 . . . . 0.0 109.388 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 179.945 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.467 ' C ' HG13 ' A' ' 137' ' ' VAL . . . . . . . . 0 N--CA 1.451 -0.414 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.551 HG23 ' N ' ' A' ' 138' ' ' ILE . 0.9 OUTLIER 52.31 175.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.607 ' HB ' HD22 ' A' ' 145' ' ' LEU . 28.9 mm -147.85 116.76 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.351 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.464 ' HB1' ' HG2' ' A' ' 144' ' ' LYS . . . -120.82 160.91 22.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.27 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.579 ' CD1' ' HB2' ' A' ' 143' ' ' PHE . 3.6 m-85 -126.75 -178.81 4.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.94 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -65.85 -9.44 46.21 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.481 1.113 . . . . 0.0 111.081 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.485 ' HG3' ' CD1' ' A' ' 143' ' ' PHE . 1.9 ptmt -144.09 -48.25 0.28 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.524 0.779 . . . . 0.0 109.239 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.592 ' CE2' ' O ' ' A' ' 212' ' ' VAL . 48.7 m-85 -75.9 172.17 13.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.431 1.082 . . . . 0.0 110.991 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.534 ' HB3' ' CD2' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -158.86 111.18 2.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.607 HD22 ' HB ' ' A' ' 138' ' ' ILE . 3.1 tt -119.57 148.83 42.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.616 1.197 . . . . 0.0 109.351 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . . . . . . . . . 59.2 t-20 -160.89 114.99 2.08 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 109.357 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.751 HD13 ' CG ' ' A' ' 170' ' ' LYS . 10.1 mt -82.3 -35.62 27.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.294 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -62.37 -19.22 59.59 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 55.4 m -116.86 -10.7 10.97 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 0.757 . . . . 0.0 110.357 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 3.4 ttt180 54.47 49.88 17.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.557 1.161 . . . . 0.0 110.366 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -148.66 120.36 8.06 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.555 ' C ' ' CD1' ' A' ' 153' ' ' PHE . 0.2 OUTLIER -130.29 148.04 52.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.391 1.057 . . . . 0.0 110.931 -179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.555 ' CD1' ' C ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -143.45 -179.74 6.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.089 . . . . 0.0 111.016 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -157.63 101.41 1.83 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.292 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 55.56 70.23 0.65 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 110.25 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 54.25 65.56 1.48 Allowed 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.518 1.136 . . . . 0.0 109.254 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.466 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 1.0 OUTLIER -159.47 92.79 1.81 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 0.0 110.33 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 129.86 12.84 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.456 1.766 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . 0.441 ' HE3' ' CG ' ' A' ' 211' ' ' MET . 0.1 OUTLIER -157.52 138.09 9.16 Favored Pre-proline 0 C--N 1.323 -0.553 0 O-C-N 124.471 1.107 . . . . 0.0 111.078 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . 0.457 ' O ' HD23 ' A' ' 161' ' ' LEU . 17.9 Cg_endo -75.03 -171.21 0.92 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.571 1.827 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 160' ' ' PRO . 80.9 mt -148.49 102.09 3.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.458 1.099 . . . . 0.0 109.313 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 165' ' ' GLU . 4.5 t -42.15 143.42 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.422 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 167' ' ' ALA . 9.0 m -39.84 -46.53 1.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 109.967 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -53.47 -47.04 64.06 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.563 1.165 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 162' ' ' THR . 41.3 mt-10 -73.86 -65.14 0.87 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.552 0.795 . . . . 0.0 110.279 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.458 ' C ' ' CD1' ' A' ' 166' ' ' PHE . 4.0 t80 -43.94 -50.23 8.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.506 ' HB1' ' HB1' ' A' ' 189' ' ' ALA . . . -58.64 -60.2 4.2 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.496 ' O ' ' HB3' ' A' ' 171' ' ' ALA . 9.9 t -51.92 -61.11 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.443 1.09 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.748 HD13 ' C ' ' A' ' 169' ' ' LEU . 1.1 tm? -45.14 -43.71 10.06 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . 0.751 ' CG ' HD13 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -58.03 -39.37 78.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.496 ' HB3' ' O ' ' A' ' 168' ' ' VAL . . . -57.37 -54.49 46.25 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.489 HD22 ' HB2' ' A' ' 232' ' ' PHE . 0.3 OUTLIER -59.01 -40.23 84.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.539 1.15 . . . . 0.0 109.221 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 24.5 t -74.6 -13.64 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.104 . . . . 0.0 109.343 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . 0.453 ' N ' ' O ' ' A' ' 170' ' ' LYS . 7.5 t -79.21 -33.24 43.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.939 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . 0.432 ' HB3' ' CB ' ' A' ' 178' ' ' GLU . 11.8 m80 -123.03 88.01 50.97 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.587 1.179 . . . . 0.0 109.584 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 118.58 5.33 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.497 1.788 . . . . 0.0 111.059 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 74.0 22.29 2.42 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.546 1.154 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.432 ' CB ' ' HB3' ' A' ' 175' ' ' HIS . 1.9 mm-40 -126.67 119.91 22.94 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.559 1.162 . . . . 0.0 110.243 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 179' ' ' PRO . . . . . 0.55 ' HB2' HD12 ' A' ' 228' ' ' LEU . 18.3 Cg_endo -75.07 150.49 37.91 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.524 1.802 . . . . 0.0 110.996 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.486 ' O ' ' CD1' ' A' ' 185' ' ' LEU . 1.6 mp -158.03 136.16 10.83 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.432 1.083 . . . . 0.0 109.309 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 12.0 p -67.65 145.29 54.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . 0.512 ' HB3' ' CE1' ' A' ' 230' ' ' TYR . 0.1 OUTLIER -48.18 -24.38 1.13 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -69.16 -50.26 49.36 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.504 1.127 . . . . 0.0 109.221 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . 0.484 ' CG ' HD23 ' A' ' 180' ' ' LEU . 13.8 tptt -75.13 -31.66 61.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.566 1.166 . . . . 0.0 109.365 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.486 ' CD1' ' O ' ' A' ' 180' ' ' LEU . 0.0 OUTLIER -57.95 -58.76 6.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.615 1.197 . . . . 0.0 109.27 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . 0.413 ' HG3' ' N ' ' A' ' 187' ' ' ASN . 4.0 ptt? -66.49 -33.42 75.65 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.14 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . 0.413 ' N ' ' HG3' ' A' ' 186' ' ' MET . 1.7 t30 -66.21 -55.25 17.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 4.5 tp -52.31 -40.44 61.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.596 1.185 . . . . 0.0 109.282 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . 0.506 ' HB1' ' HB1' ' A' ' 167' ' ' ALA . . . -55.02 -65.06 0.65 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 25.1 ttt180 38.98 88.44 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.155 . . . . 0.0 110.301 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -91.73 22.21 32.11 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.516 1.135 . . . . 0.0 111.019 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 15.9 ttt-85 57.4 41.59 26.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 0.78 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -166.82 176.68 6.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 1.093 . . . . 0.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 194' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -90.12 62.88 5.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 44.5 t -99.31 -48.59 4.75 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.449 1.093 . . . . 0.0 109.942 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -44.32 -42.82 7.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.349 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.51 43.41 1.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.382 1.051 . . . . 0.0 110.915 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 31.4 tp10 -125.36 -51.59 1.63 Allowed 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.499 1.125 . . . . 0.0 110.391 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 199' ' ' ARG . . . . . 0.587 ' HD3' HH21 ' A' ' 207' ' ' ARG . 0.3 OUTLIER -140.07 102.68 4.44 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.361 1.038 . . . . 0.0 110.199 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -44.14 151.6 0.23 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.419 1.074 . . . . 0.0 109.946 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.483 HD12 ' CD2' ' A' ' 185' ' ' LEU . 4.9 mm -54.2 -56.82 7.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -42.29 -35.4 0.97 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 87.7 t -80.13 -44.2 22.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 204' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 201' ' ' ILE . 30.7 mm-40 -62.24 -58.99 5.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.37 1.044 . . . . 0.0 110.3 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -52.34 -33.49 17.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 0.0 109.257 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 29.5 t -67.74 -41.22 83.77 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 207' ' ' ARG . . . . . 0.587 HH21 ' HD3' ' A' ' 199' ' ' ARG . 8.3 mtm180 -75.92 -28.33 57.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.219 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . 0.681 ' O ' HG22 ' A' ' 212' ' ' VAL . 14.1 mt -74.49 -43.84 54.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.581 1.176 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 209' ' ' ARG . . . . . 0.435 ' CG ' HG21 ' A' ' 222' ' ' ILE . 4.0 mtp180 -56.95 -49.11 76.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 110.342 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.91 -19.89 62.55 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.604 1.19 . . . . 0.0 110.301 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 211' ' ' MET . . . . . 0.441 ' CG ' ' HE3' ' A' ' 159' ' ' MET . 36.9 ttm -78.82 -48.98 13.73 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.483 1.115 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 212' ' ' VAL . . . . . 0.822 HG23 ' HG2' ' A' ' 213' ' ' GLU . 25.2 m -80.71 -33.65 13.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.273 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.822 ' HG2' HG23 ' A' ' 212' ' ' VAL . 17.1 mm-40 -136.59 -149.45 0.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.433 1.083 . . . . 0.0 110.242 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . 0.408 ' C ' ' CG ' ' A' ' 215' ' ' ASP . 1.3 tt0 -120.14 -34.64 3.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.277 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 215' ' ' ASP . . . . . 0.439 ' N ' ' HD3' ' A' ' 216' ' ' PRO . 0.2 OUTLIER 47.51 63.35 10.34 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.28 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 216' ' ' PRO . . . . . 0.445 ' O ' ' HB2' ' A' ' 217' ' ' ALA . 18.0 Cg_endo -75.02 -0.03 9.48 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 216' ' ' PRO . . . 177.93 -36.66 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -155.82 120.89 2.49 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.607 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -159.55 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.56 1.821 . . . . 0.0 111.0 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 64.2 mtt180 -137.23 -50.78 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.437 1.086 . . . . 0.0 110.244 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.562 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 26.9 m-85 -90.02 20.02 4.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.586 1.179 . . . . 0.0 110.97 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 222' ' ' ILE . . . . . 0.513 HD13 ' O ' ' A' ' 221' ' ' TYR . 31.4 mm -144.89 116.64 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.482 1.114 . . . . 0.0 109.314 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 223' ' ' GLN . . . . . 0.738 ' O ' HG12 ' A' ' 231' ' ' VAL . 0.1 OUTLIER -119.72 80.06 1.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.168 . . . . 0.0 110.23 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 98.7 m -74.58 123.88 25.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.416 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 225' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 229' ' ' GLY . 2.2 p -131.31 112.23 20.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 226' ' ' TRP . . . . . 0.453 ' O ' ' N ' ' A' ' 228' ' ' LEU . 0.8 OUTLIER -58.45 -56.33 23.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 1.154 . . . . 0.0 108.012 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -37.51 -30.76 0.06 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.448 1.092 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . 0.55 HD12 ' HB2' ' A' ' 179' ' ' PRO . 1.0 OUTLIER -115.08 -85.65 0.61 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 0.756 . . . . 0.0 109.298 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 229' ' ' GLY . . . . . 0.594 ' C ' ' CD1' ' A' ' 230' ' ' TYR . . . -173.74 -94.19 0.09 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.458 1.099 . . . . 0.0 111.029 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 230' ' ' TYR . . . . . 0.594 ' CD1' ' C ' ' A' ' 229' ' ' GLY . 35.6 m-85 -151.25 119.53 6.36 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 0.747 . . . . 0.0 110.997 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . 0.738 HG12 ' O ' ' A' ' 223' ' ' GLN . 2.9 p -119.33 157.66 21.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.348 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.562 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 1.5 t80 -122.11 100.36 6.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 111.007 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 53.1 t -112.63 96.24 35.96 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.313 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 178.09 7.72 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.49 1.784 . . . . 0.0 110.979 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 1.9 t70 56.02 100.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 109.27 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -38.74 136.48 1.1 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.504 1.127 . . . . 0.0 110.973 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 21.4 t -159.73 -59.22 0.06 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.561 0.801 . . . . 0.0 109.931 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.18 158.33 16.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.607 1.192 . . . . 0.0 109.311 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.567 1.167 . . . . 0.0 109.328 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.641 ' C ' HG13 ' A' ' 137' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.651 HG23 ' N ' ' A' ' 138' ' ' ILE . 1.4 m 59.89 178.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.345 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.651 ' N ' HG23 ' A' ' 137' ' ' VAL . 5.3 mp -134.62 110.47 13.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.408 1.068 . . . . 0.0 109.301 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 143' ' ' PHE . . . -129.41 152.51 48.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.734 ' CE2' ' CG ' ' A' ' 143' ' ' PHE . 3.2 p90 -160.18 123.52 3.52 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.475 1.109 . . . . 0.0 110.952 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 64.11 -88.84 0.08 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -123.96 0.23 8.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.598 0.822 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.734 ' CG ' ' CE2' ' A' ' 140' ' ' PHE . 98.6 m-85 -94.97 138.51 32.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.57 ' HG3' ' CD2' ' A' ' 153' ' ' PHE . 0.3 OUTLIER -147.32 110.26 4.75 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.734 HD12 ' SD ' ' A' ' 152' ' ' MET . 4.3 tt -119.79 148.06 43.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.416 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 46.5 t-20 -150.86 114.82 5.01 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.469 1.106 . . . . 0.0 109.226 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.962 HD13 ' HG3' ' A' ' 170' ' ' LYS . 10.0 mt -75.61 -43.17 49.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.409 1.068 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -50.7 -26.12 10.17 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 98.4 m -117.16 -11.26 10.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 0.784 . . . . 0.0 110.343 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 16.5 ttp85 53.61 50.06 18.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -144.06 116.38 8.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 110.341 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.734 ' SD ' HD12 ' A' ' 145' ' ' LEU . 12.8 ttt -132.36 149.71 52.3 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.387 1.055 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.57 ' CD2' ' HG3' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -147.23 179.46 7.62 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.541 1.151 . . . . 0.0 111.013 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.567 ' HG3' ' CE1' ' A' ' 143' ' ' PHE . 0.1 OUTLIER -160.13 104.01 1.48 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.202 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 57.22 67.91 0.92 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.482 1.114 . . . . 0.0 110.254 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 5.3 t70 53.4 65.67 1.45 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.462 1.101 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.434 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -156.98 91.62 2.44 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.48 1.113 . . . . 0.0 110.247 179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 124.93 8.98 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.557 1.819 . . . . 0.0 110.986 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . 0.418 ' HA ' ' HD3' ' A' ' 160' ' ' PRO . 0.0 OUTLIER -149.28 138.81 12.83 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.436 1.085 . . . . 0.0 110.953 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 159' ' ' MET . 18.1 Cg_endo -75.1 -163.29 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.403 1.738 . . . . 0.0 110.948 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.663 HD23 ' HE1' ' A' ' 211' ' ' MET . 1.7 mt -141.45 102.99 4.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 161' ' ' LEU . 9.7 m -38.42 152.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.522 1.139 . . . . 0.0 110.387 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 9.0 m -50.72 -37.25 40.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.582 1.176 . . . . 0.0 109.946 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -79.34 -49.2 6.37 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.523 1.139 . . . . 0.0 111.054 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.59 ' HA ' HD21 ' A' ' 208' ' ' LEU . 1.9 mt-10 -53.9 -62.29 1.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 110.276 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 147' ' ' LEU . 6.1 t80 -50.42 -54.52 21.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 110.901 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.507 ' HB1' ' HB1' ' A' ' 189' ' ' ALA . . . -57.37 -59.97 4.34 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.11 . . . . 0.0 109.336 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.796 HG11 ' HB3' ' A' ' 204' ' ' GLN . 14.5 t -46.11 -47.46 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.359 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.754 HD13 HD12 ' A' ' 208' ' ' LEU . 14.8 tp -64.96 -48.76 72.89 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . 0.962 ' HG3' HD13 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -51.19 -36.81 43.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.609 1.193 . . . . 0.0 109.319 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.411 ' HB1' ' HA ' ' A' ' 185' ' ' LEU . . . -64.95 -44.0 90.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.266 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.6 -48.85 45.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.352 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . . . . . . . . . 11.5 t -65.56 -19.72 26.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.24 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.84 -35.17 79.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 110.052 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . 0.415 ' CB ' HD11 ' A' ' 180' ' ' LEU . 0.1 OUTLIER -128.81 92.31 40.5 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.614 1.196 . . . . 0.0 109.59 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . 0.466 ' O ' ' CB ' ' A' ' 177' ' ' ARG . 18.4 Cg_endo -74.97 111.19 3.27 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.533 1.807 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.466 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 6.2 ttp-105 81.53 30.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -134.35 114.93 12.6 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.544 1.152 . . . . 0.0 110.276 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 179' ' ' PRO . . . . . 0.91 ' CB ' HD13 ' A' ' 228' ' ' LEU . 18.5 Cg_endo -74.86 134.93 18.69 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.404 1.739 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.426 HD22 HD22 ' A' ' 188' ' ' LEU . 1.2 mp -135.05 164.71 27.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . 0.557 ' O ' HD12 ' A' ' 185' ' ' LEU . 13.0 t -84.13 153.05 23.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.594 1.184 . . . . 0.0 110.008 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . 0.51 ' O ' ' CD1' ' A' ' 201' ' ' ILE . 1.3 mpp_? -52.18 -35.8 49.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.404 1.065 . . . . 0.0 110.288 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -72.97 -34.96 66.81 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.566 1.166 . . . . 0.0 109.263 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -65.34 -41.98 93.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.475 1.109 . . . . 0.0 109.359 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.647 ' HB2' HD13 ' A' ' 201' ' ' ILE . 3.5 mp -54.24 -63.11 1.26 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 109.32 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . 0.496 ' CE ' ' HA ' ' A' ' 197' ' ' MET . 25.6 ttt -39.93 -44.24 1.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 110.995 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -73.86 -54.53 7.78 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.125 . . . . 0.0 109.301 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.426 HD22 HD22 ' A' ' 180' ' ' LEU . 1.9 tp -42.1 -45.35 3.94 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.151 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . 0.507 ' HB1' ' HB1' ' A' ' 167' ' ' ALA . . . -48.25 -59.14 3.65 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 109.273 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 175.12 100.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 110.275 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -79.56 79.88 1.61 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.496 1.122 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 171.44 -47.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 0.733 . . . . 0.0 110.251 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -144.65 144.4 31.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.29 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 194' ' ' TYR . . . . . 0.569 ' CD1' ' C ' ' A' ' 194' ' ' TYR . 0.1 OUTLIER 177.19 -63.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 111.039 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . 0.563 ' O ' ' HB3' ' A' ' 196' ' ' ALA . 45.7 t -172.42 33.85 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.594 1.184 . . . . 0.0 109.978 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 195' ' ' SER . . . 74.73 -80.68 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.454 1.096 . . . . 0.0 109.313 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 197' ' ' MET . . . . . 0.496 ' HA ' ' CE ' ' A' ' 186' ' ' MET . 69.4 mtp -157.79 29.87 0.27 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.139 . . . . 0.0 110.963 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 198' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 197' ' ' MET . 1.8 tp10 -37.56 -44.09 0.65 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.262 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 199' ' ' ARG . . . . . 0.407 ' O ' ' O ' ' A' ' 198' ' ' GLU . 15.3 ttt180 40.54 92.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.361 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' SER . . . . . 0.642 ' OG ' HG21 ' A' ' 203' ' ' VAL . 0.6 OUTLIER -155.82 74.84 0.88 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.401 1.063 . . . . 0.0 109.993 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.647 HD13 ' HB2' ' A' ' 185' ' ' LEU . 62.2 mt -93.4 -60.88 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.65 -45.32 13.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 109.325 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 203' ' ' VAL . . . . . 0.642 HG21 ' OG ' ' A' ' 200' ' ' SER . 10.2 m -67.65 -33.77 63.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.267 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 204' ' ' GLN . . . . . 0.796 ' HB3' HG11 ' A' ' 168' ' ' VAL . 0.1 OUTLIER -71.65 -47.38 54.75 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 110.243 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.56 HG13 ' CD1' ' A' ' 230' ' ' TYR . 22.7 mm -39.96 -31.94 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 109.374 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . 0.415 ' N ' ' C ' ' A' ' 204' ' ' GLN . 0.2 OUTLIER -79.94 -55.11 5.2 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.494 1.121 . . . . 0.0 110.087 179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 207' ' ' ARG . . . . . 0.422 ' O ' ' CG ' ' A' ' 211' ' ' MET . 35.9 mmt180 -58.21 -30.25 66.34 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.456 1.098 . . . . 0.0 110.265 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . 0.789 ' O ' HG22 ' A' ' 212' ' ' VAL . 3.8 mm? -79.94 -50.08 10.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.089 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 209' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 213' ' ' GLU . 20.1 ttm180 -51.76 -53.36 40.53 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.444 1.09 . . . . 0.0 110.235 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 44.9 ttt180 -65.17 -35.02 79.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 1.109 . . . . 0.0 110.328 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 211' ' ' MET . . . . . 0.663 ' HE1' HD23 ' A' ' 161' ' ' LEU . 26.1 mtp -63.62 -50.86 67.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 111.066 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 212' ' ' VAL . . . . . 0.789 HG22 ' O ' ' A' ' 208' ' ' LEU . 21.6 m -79.5 -24.6 12.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.537 1.148 . . . . 0.0 109.229 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.745 ' HG2' HG23 ' A' ' 212' ' ' VAL . 2.1 mm-40 -111.27 -147.43 0.42 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 110.3 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.06 -45.82 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.617 1.198 . . . . 0.0 110.302 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -97.3 110.36 54.06 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.335 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 55.7 3.98 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.425 1.75 . . . . 0.0 111.056 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -149.69 -46.52 0.13 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 1.102 . . . . 0.0 109.249 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -114.04 92.44 26.22 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.653 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -159.71 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.483 1.78 . . . . 0.0 110.971 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.79 -55.07 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.596 1.185 . . . . 0.0 110.325 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.563 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 79.2 m-85 -95.15 21.43 7.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 222' ' ' ILE . . . . . . . . . . . . . 17.9 mt -152.94 117.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.618 1.199 . . . . 0.0 109.185 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 223' ' ' GLN . . . . . 0.69 ' O ' HG12 ' A' ' 231' ' ' VAL . 2.2 mm-40 -125.33 108.98 12.24 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 224' ' ' THR . . . . . 0.439 ' C ' ' CG2' ' A' ' 225' ' ' VAL . 1.0 OUTLIER -76.93 153.28 34.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.621 1.201 . . . . 0.0 110.39 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 225' ' ' VAL . . . . . 0.656 HG11 HD12 ' A' ' 228' ' ' LEU . 2.2 t -150.85 116.07 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.437 1.086 . . . . 0.0 109.258 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 5.6 m-90 -65.72 -45.92 80.86 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -54.26 -39.06 63.33 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.415 1.072 . . . . 0.0 111.024 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . 0.91 HD13 ' CB ' ' A' ' 179' ' ' PRO . 4.8 mt -102.52 -82.86 0.48 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.417 0.716 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 229' ' ' GLY . . . . . 0.593 ' O ' ' CD1' ' A' ' 230' ' ' TYR . . . 175.4 -75.0 0.08 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.531 1.144 . . . . 0.0 111.015 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 230' ' ' TYR . . . . . 0.605 ' CD2' HG21 ' A' ' 201' ' ' ILE . 60.8 m-85 -160.1 122.03 3.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 0.769 . . . . 0.0 110.952 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . 0.69 HG12 ' O ' ' A' ' 223' ' ' GLN . 9.6 p -119.72 152.7 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.563 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 4.9 t80 -119.86 97.53 5.66 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.583 1.177 . . . . 0.0 110.944 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 41.1 t -106.52 104.07 49.05 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.25 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 176.55 9.78 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.54 1.811 . . . . 0.0 110.998 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -41.83 144.62 0.4 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -159.35 164.05 33.74 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.451 1.094 . . . . 0.0 111.088 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.17 143.61 3.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 0.78 . . . . 0.0 109.969 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -91.76 139.24 30.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.586 ' C ' HG13 ' A' ' 137' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.586 HG13 ' C ' ' A' ' 136' ' ' ALA . 1.4 m 56.33 166.41 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 109.282 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.414 ' N ' HG23 ' A' ' 137' ' ' VAL . 16.2 mm -132.07 108.24 13.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.542 ' HB2' ' HG2' ' A' ' 144' ' ' LYS . . . -119.8 161.94 19.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.562 1.164 . . . . 0.0 109.327 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 143' ' ' PHE . 4.4 m-85 -126.27 -179.47 4.75 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 111.065 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . -59.29 -15.02 29.06 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.566 1.166 . . . . 0.0 110.979 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 16.4 mttt -138.63 -49.88 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 0.772 . . . . 0.0 109.261 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.564 ' HB2' ' CD1' ' A' ' 140' ' ' PHE . 13.0 m-85 -74.07 161.14 30.34 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.537 1.148 . . . . 0.0 111.073 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.542 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 0.1 OUTLIER -150.33 110.18 4.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.247 -179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.89 HD12 ' HG3' ' A' ' 152' ' ' MET . 7.5 tt -119.61 157.34 28.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.345 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.448 ' ND2' ' OG1' ' A' ' 149' ' ' THR . 57.2 t-20 -160.47 117.86 2.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.432 1.083 . . . . 0.0 109.335 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.765 HD13 ' HG2' ' A' ' 170' ' ' LYS . 22.8 mt -76.79 -45.57 28.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.469 1.105 . . . . 0.0 109.312 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -56.84 -21.73 38.17 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.527 1.142 . . . . 0.0 111.024 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . 0.448 ' OG1' ' ND2' ' A' ' 146' ' ' ASN . 96.8 m -113.56 -9.31 13.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 0.766 . . . . 0.0 110.382 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.52 53.55 9.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.464 ' HB3' ' CE1' ' A' ' 153' ' ' PHE . 3.8 mt-10 -152.76 121.04 6.26 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.419 1.074 . . . . 0.0 110.296 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.89 ' HG3' HD12 ' A' ' 145' ' ' LEU . 1.1 tmt? -125.95 144.9 50.51 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.464 ' CE1' ' HB3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -148.99 150.59 33.09 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.422 1.077 . . . . 0.0 110.932 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.526 ' O ' ' CB ' ' A' ' 155' ' ' GLU . 0.8 OUTLIER -119.84 100.21 7.1 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.544 1.152 . . . . 0.0 110.28 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.526 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 0.3 OUTLIER 87.74 -30.95 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.423 ' CB ' ' O ' ' A' ' 155' ' ' GLU . 0.2 OUTLIER 161.86 -28.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.351 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.418 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 1.1 tp10 -61.1 126.25 85.59 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.257 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 131.61 14.47 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 111.003 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . 0.438 ' N ' ' O ' ' A' ' 152' ' ' MET . 8.1 mmm -130.93 107.24 15.2 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 111.053 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 157.65 42.44 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.436 1.756 . . . . 0.0 111.029 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.557 HD12 ' HB2' ' A' ' 166' ' ' PHE . 0.2 OUTLIER -141.45 103.68 4.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 81.6 m -50.75 164.04 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.315 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 68.6 m -49.12 -53.74 19.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 109.927 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.654 ' O ' HG23 ' A' ' 168' ' ' VAL . . . -50.49 -57.76 10.05 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.526 1.141 . . . . 0.0 111.059 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.11 -50.1 70.07 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.506 0.768 . . . . 0.0 110.255 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.57 ' CE2' ' HB3' ' A' ' 147' ' ' LEU . 1.3 t80 -60.01 -40.8 90.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.482 ' HB1' ' HB1' ' A' ' 189' ' ' ALA . . . -65.63 -41.66 92.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 164' ' ' GLY . 72.3 t -63.78 -57.3 12.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.475 HD13 HD22 ' A' ' 208' ' ' LEU . 0.6 OUTLIER -60.88 -20.25 61.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . 0.765 ' HG2' HD13 ' A' ' 147' ' ' LEU . 0.0 OUTLIER -70.81 -59.34 2.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -47.68 -48.98 28.86 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.606 HD22 ' HB2' ' A' ' 232' ' ' PHE . 1.4 mt -59.32 -46.81 87.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 109.238 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 169' ' ' LEU . 26.6 t -70.88 -10.94 14.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 109.228 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 170' ' ' LYS . 0.1 OUTLIER -91.11 0.03 57.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.153 . . . . 0.0 109.962 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . 0.521 ' CD2' ' HG2' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -154.66 89.4 3.21 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.537 1.148 . . . . 0.0 109.6 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 126.69 10.18 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.492 1.785 . . . . 0.0 111.007 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 2.4 ttm105 58.17 46.94 15.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.521 ' HG2' ' CD2' ' A' ' 175' ' ' HIS . 0.9 OUTLIER -147.15 117.07 4.45 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.343 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 179' ' ' PRO . . . . . 0.583 ' O ' HD12 ' A' ' 180' ' ' LEU . 18.5 Cg_endo -74.97 146.11 32.39 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.484 1.781 . . . . 0.0 111.087 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.583 HD12 ' O ' ' A' ' 179' ' ' PRO . 0.5 OUTLIER -147.79 119.45 8.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -49.26 158.81 0.35 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 110.032 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . 0.747 ' HG2' HD12 ' A' ' 201' ' ' ILE . 0.1 OUTLIER -59.69 -20.35 55.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 110.277 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -78.64 -46.9 18.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.548 1.155 . . . . 0.0 109.4 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -65.08 -52.22 56.86 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.598 1.186 . . . . 0.0 109.305 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.522 HD13 ' HB2' ' A' ' 230' ' ' TYR . 0.3 OUTLIER -45.78 -51.21 13.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.434 1.084 . . . . 0.0 109.325 179.956 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 2.7 tpt -57.02 -59.48 5.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.943 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -43.26 -46.7 6.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 1.072 . . . . 0.0 109.335 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.438 ' HA ' HD23 ' A' ' 188' ' ' LEU . 0.5 OUTLIER -57.57 -60.92 2.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.321 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . 0.482 ' HB1' ' HB1' ' A' ' 167' ' ' ALA . . . -52.05 -55.17 22.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . 0.478 ' HG3' ' HB2' ' A' ' 196' ' ' ALA . 0.0 OUTLIER -64.13 76.99 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.11 . . . . 0.0 110.26 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 189' ' ' ALA . . . -126.4 -64.35 0.16 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.542 1.152 . . . . 0.0 111.033 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.99 53.92 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 0.787 . . . . 0.0 110.272 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -168.45 151.08 5.28 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.52 1.137 . . . . 0.0 110.358 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 194' ' ' TYR . . . . . 0.436 ' CG ' ' O ' ' A' ' 194' ' ' TYR . 17.7 t80 -72.29 79.37 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.585 1.178 . . . . 0.0 111.02 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 34.4 t -141.87 50.93 1.53 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.478 ' HB2' ' HG3' ' A' ' 190' ' ' ARG . . . -123.93 -55.48 1.69 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.538 1.149 . . . . 0.0 109.229 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -41.67 -40.22 1.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.99 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.72 -62.8 1.42 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.257 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 44.39 92.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 202' ' ' ASP . 2.3 t -170.74 -58.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 110.054 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.747 HD12 ' HG2' ' A' ' 182' ' ' ARG . 50.2 mt 65.92 -74.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 200' ' ' SER . 0.0 OUTLIER -40.28 -31.32 0.13 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.399 1.062 . . . . 0.0 109.285 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 203' ' ' VAL . . . . . 0.417 ' N ' ' C ' ' A' ' 201' ' ' ILE . 3.4 t -73.22 -55.35 12.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.589 1.181 . . . . 0.0 109.329 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 204' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 201' ' ' ILE . 11.9 mm-40 -63.23 -48.11 79.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.252 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.508 HG22 ' HD2' ' A' ' 209' ' ' ARG . 28.7 mm -46.7 -42.23 5.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.569 1.168 . . . . 0.0 109.368 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 42.4 m -61.96 -41.68 98.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.095 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 1.5 mmt-85 -73.37 -33.93 65.31 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.44 1.088 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . 0.614 ' O ' HG22 ' A' ' 212' ' ' VAL . 52.0 mt -68.85 -28.23 66.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 209' ' ' ARG . . . . . 0.578 ' CG ' HG21 ' A' ' 222' ' ' ILE . 0.1 OUTLIER -70.13 -57.89 4.43 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.338 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.15 -15.31 32.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.109 . . . . 0.0 110.266 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -79.17 -60.38 2.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.436 1.085 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 212' ' ' VAL . . . . . 0.986 HG23 ' HG2' ' A' ' 213' ' ' GLU . 31.5 m -76.84 -30.56 18.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.986 ' HG2' HG23 ' A' ' 212' ' ' VAL . 7.4 mm-40 -141.65 101.38 3.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.549 1.155 . . . . 0.0 110.272 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.09 60.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 110.346 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 215' ' ' ASP . . . . . 0.464 ' N ' ' HD3' ' A' ' 216' ' ' PRO . 1.4 m-20 44.7 61.9 10.91 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.134 . . . . 0.0 109.379 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 216' ' ' PRO . . . . . 0.464 ' HD3' ' N ' ' A' ' 215' ' ' ASP . 18.4 Cg_endo -75.01 53.7 3.42 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.554 1.818 . . . . 0.0 111.031 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . 58.14 63.66 1.7 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 79.67 111.71 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.647 1.217 . . . . 0.0 109.634 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -158.45 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.514 1.797 . . . . 0.0 111.074 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 220' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' A' ' 233' ' ' VAL . 0.1 OUTLIER -162.05 -40.22 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 110.336 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.533 ' O ' HD13 ' A' ' 222' ' ' ILE . 70.1 m-85 -77.98 9.36 3.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 222' ' ' ILE . . . . . 0.578 HG21 ' CG ' ' A' ' 209' ' ' ARG . 6.5 mm -140.21 108.19 2.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.39 1.056 . . . . 0.0 109.225 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 223' ' ' GLN . . . . . 0.784 ' O ' HG12 ' A' ' 231' ' ' VAL . 1.5 mt-30 -120.98 85.26 2.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 224' ' ' THR . . . . . 0.781 HG23 ' CD1' ' A' ' 230' ' ' TYR . 51.9 m -80.33 116.09 20.22 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.426 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 225' ' ' VAL . . . . . 0.47 ' O ' ' N ' ' A' ' 229' ' ' GLY . 3.8 t -108.43 117.27 53.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -64.02 -50.72 67.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 108.039 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -55.7 -49.94 63.22 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.431 1.082 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . 0.438 HD12 ' HB2' ' A' ' 179' ' ' PRO . 2.3 mm? -82.19 -79.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.772 . . . . 0.0 109.37 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 229' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 176.52 -95.03 0.1 OUTLIER Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.44 1.087 . . . . 0.0 110.978 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 230' ' ' TYR . . . . . 0.781 ' CD1' HG23 ' A' ' 224' ' ' THR . 91.5 m-85 -150.48 116.21 5.53 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 0.731 . . . . 0.0 111.004 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . 0.784 HG12 ' O ' ' A' ' 223' ' ' GLN . 7.6 p -120.01 146.6 24.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.606 ' HB2' HD22 ' A' ' 172' ' ' LEU . 4.7 t80 -119.96 93.83 4.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 110.99 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 233' ' ' VAL . . . . . 0.403 ' O ' ' O ' ' A' ' 220' ' ' ARG . 97.4 t -101.3 108.16 53.81 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 109.375 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 234' ' ' PRO . . . . . 0.498 ' HA ' ' CD2' ' A' ' 221' ' ' TYR . 18.2 Cg_endo -75.04 132.82 15.79 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.503 1.791 . . . . 0.0 110.926 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 70.98 158.93 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 109.337 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -102.23 167.13 17.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 2.0 t -173.04 74.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 0.758 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.27 71.91 0.26 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.584 1.178 . . . . 0.0 109.369 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.55 1.156 . . . . 0.0 109.34 -179.933 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.544 ' C ' HG13 ' A' ' 137' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.544 HG13 ' C ' ' A' ' 136' ' ' ALA . 1.0 OUTLIER 55.22 168.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.423 1.077 . . . . 0.0 109.362 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.753 ' HB ' HD23 ' A' ' 145' ' ' LEU . 4.4 mm -135.91 113.19 14.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.575 1.172 . . . . 0.0 109.313 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.413 ' HB2' ' HG2' ' A' ' 144' ' ' LYS . . . -119.4 163.78 16.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.56 1.163 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.677 ' CD1' ' N ' ' A' ' 140' ' ' PHE . 0.0 OUTLIER -142.67 -177.8 5.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.436 1.085 . . . . 0.0 111.005 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -34.89 -88.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.518 1.136 . . . . 0.0 110.999 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -103.3 38.82 1.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.416 0.715 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 154' ' ' ARG . 4.0 t80 -147.11 149.7 33.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.413 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 0.9 OUTLIER -140.8 145.73 36.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 1.149 . . . . 0.0 109.249 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.753 HD23 ' HB ' ' A' ' 138' ' ' ILE . 0.2 OUTLIER -156.68 145.07 19.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.484 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 59.7 t-20 -150.38 118.98 6.5 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.614 HD11 HD21 ' A' ' 145' ' ' LEU . 1.0 OUTLIER -79.24 -46.6 17.49 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.475 1.109 . . . . 0.0 109.346 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -56.28 -19.03 23.22 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.543 1.152 . . . . 0.0 111.076 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . 0.534 HG22 ' HG3' ' A' ' 151' ' ' GLU . 24.7 m -113.15 -13.84 12.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 0.762 . . . . 0.0 110.446 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 53.88 50.31 17.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.534 ' HG3' HG22 ' A' ' 149' ' ' THR . 9.0 mt-10 -144.25 119.21 9.98 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.529 1.143 . . . . 0.0 110.348 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.865 ' HE1' HG12 ' A' ' 212' ' ' VAL . 4.7 ttm -118.6 150.98 38.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 111.033 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.697 ' CD1' ' N ' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -151.56 154.77 37.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 111.051 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.575 ' HB2' ' CE2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -151.59 122.31 7.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.576 1.173 . . . . 0.0 110.305 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.424 ' C ' ' N ' ' A' ' 157' ' ' GLU . 2.0 mt-10 72.98 62.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.564 1.165 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 42.51 28.89 0.13 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.594 1.183 . . . . 0.0 109.339 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.424 ' N ' ' C ' ' A' ' 155' ' ' GLU . 19.2 mt-10 -132.98 143.49 48.82 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 159.04 41.91 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.595 1.839 . . . . 0.0 111.015 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 152' ' ' MET . 0.1 OUTLIER -160.0 119.17 1.62 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 111.073 179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 179.21 6.3 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.541 1.811 . . . . 0.0 111.04 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.529 HD12 ' HB2' ' A' ' 166' ' ' PHE . 0.8 OUTLIER -160.07 120.76 3.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 62.4 m -57.91 167.45 1.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 110.387 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 72.8 m -68.8 -38.78 80.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.587 1.18 . . . . 0.0 109.928 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -54.04 -39.76 64.2 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.485 1.115 . . . . 0.0 111.009 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 167' ' ' ALA . 0.6 OUTLIER -71.75 -65.94 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 0.785 . . . . 0.0 110.226 -179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 147' ' ' LEU . 5.7 t80 -40.74 -27.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.618 ' HB2' ' CG ' ' A' ' 194' ' ' TYR . . . -66.16 -63.55 1.05 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.645 HG12 HD12 ' A' ' 172' ' ' LEU . 19.6 t -70.58 -47.59 63.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 1.009 ' O ' HD22 ' A' ' 169' ' ' LEU . 0.1 OUTLIER -47.93 -36.73 12.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.287 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . 0.509 ' O ' ' CB ' ' A' ' 174' ' ' SER . 72.3 tttt -79.61 -30.0 41.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.155 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 168' ' ' VAL . . . -72.32 -33.64 67.5 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.544 1.152 . . . . 0.0 109.37 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.813 HD11 HD11 ' A' ' 205' ' ' ILE . 0.2 OUTLIER -77.2 -48.02 18.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.568 HG21 HG13 ' A' ' 138' ' ' ILE . 0.3 OUTLIER -75.78 -10.42 13.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 170' ' ' LYS . 0.5 OUTLIER -65.98 -33.35 75.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.551 1.157 . . . . 0.0 109.986 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -135.05 94.26 16.29 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.413 1.071 . . . . 0.0 109.637 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 136.71 20.87 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.488 1.783 . . . . 0.0 110.994 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.24 23.67 9.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.343 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.456 ' C ' HG23 ' A' ' 231' ' ' VAL . 0.0 OUTLIER -132.42 108.87 13.48 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 179' ' ' PRO . . . . . 0.634 ' CB ' HD13 ' A' ' 228' ' ' LEU . 18.4 Cg_endo -75.04 139.37 24.11 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.498 1.789 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 33.0 mt -131.54 145.96 51.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . 0.653 ' O ' HD12 ' A' ' 185' ' ' LEU . 15.2 p -70.01 149.65 47.47 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 1.11 . . . . 0.0 109.939 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . 0.497 HH21 ' HB2' ' A' ' 181' ' ' SER . 0.0 OUTLIER -42.32 -38.86 1.95 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.94 -53.61 12.56 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.554 1.159 . . . . 0.0 109.332 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 1.8 mmtt -44.8 -42.97 8.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.659 HD21 ' HB2' ' A' ' 230' ' ' TYR . 5.0 mp -54.7 -63.77 1.05 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.411 1.069 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 16.6 tpt -56.27 -43.35 78.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 1.109 . . . . 0.0 111.035 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 17.9 t30 -59.67 -55.12 38.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 109.226 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.96 -53.75 54.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -48.66 -48.54 39.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.5 124.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.316 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . 0.553 ' HA2' ' CE2' ' A' ' 194' ' ' TYR . . . -77.97 -173.65 41.42 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.561 1.163 . . . . 0.0 111.025 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 192' ' ' ARG . . . . . 0.472 ' CB ' ' O ' ' A' ' 191' ' ' GLY . 0.2 OUTLIER 83.26 -50.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.581 0.812 . . . . 0.0 110.299 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -65.19 -32.72 74.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 194' ' ' TYR . . . . . 0.618 ' CG ' ' HB2' ' A' ' 167' ' ' ALA . 4.6 p90 -118.02 -34.99 3.98 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 111.092 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . 0.561 ' HB3' ' CD1' ' A' ' 194' ' ' TYR . 3.4 t 164.31 103.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.613 1.196 . . . . 0.0 109.969 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.414 ' HB2' ' N ' ' A' ' 192' ' ' ARG . . . -82.0 73.68 9.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.347 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -174.81 -43.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 111.063 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -39.75 -70.57 0.1 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.55 1.156 . . . . 0.0 110.315 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.89 94.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.659 1.224 . . . . 0.0 110.285 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.23 115.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.554 1.159 . . . . 0.0 109.986 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.667 HG21 ' CE2' ' A' ' 230' ' ' TYR . 3.2 mm -95.49 -80.73 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 109.26 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -39.46 -30.34 0.07 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.394 1.059 . . . . 0.0 109.35 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 203' ' ' VAL . . . . . 0.446 ' N ' ' C ' ' A' ' 201' ' ' ILE . 40.9 t -71.04 -60.2 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.248 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 204' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 207' ' ' ARG . 47.7 mm-40 -64.24 -44.99 90.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.347 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.813 HD11 HD11 ' A' ' 172' ' ' LEU . 6.9 mm -42.41 -48.89 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 109.221 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -63.84 -38.11 89.86 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 109.947 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 207' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 204' ' ' GLN . 10.3 mtt180 -68.23 -52.64 31.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.597 1.185 . . . . 0.0 110.353 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . 0.7 ' C ' HD12 ' A' ' 208' ' ' LEU . 0.4 OUTLIER -67.83 -31.5 71.39 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.564 1.165 . . . . 0.0 109.312 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 209' ' ' ARG . . . . . 0.468 ' CB ' ' O ' ' A' ' 205' ' ' ILE . 38.9 ttm180 -62.84 -61.37 2.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.42 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 23.6 ttt-85 -55.35 -24.93 32.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 1.8 ttp -63.62 -56.89 12.28 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 111.027 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 212' ' ' VAL . . . . . 0.865 HG12 ' HE1' ' A' ' 152' ' ' MET . 21.3 m -79.55 -25.89 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.577 ' HG2' HG23 ' A' ' 212' ' ' VAL . 31.5 mm-40 -109.79 -147.32 0.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.102 . . . . 0.0 110.252 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . 0.403 ' CG ' ' O ' ' A' ' 213' ' ' GLU . 60.3 mt-10 -158.52 -50.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.275 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -97.1 110.32 53.48 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 55.84 4.02 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.485 1.782 . . . . 0.0 111.009 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -150.39 -46.73 0.12 Allowed 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.482 1.114 . . . . 0.0 109.325 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -121.49 77.34 35.97 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.447 1.092 . . . . 0.0 109.636 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -159.71 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.53 1.805 . . . . 0.0 111.017 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 6.3 ptp180 -156.2 -51.66 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.091 . . . . 0.0 110.343 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.457 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 22.5 m-85 -96.86 21.39 9.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.008 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 222' ' ' ILE . . . . . 0.674 HD11 HD11 ' A' ' 208' ' ' LEU . 7.8 mt -154.79 116.91 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.416 1.072 . . . . 0.0 109.38 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 223' ' ' GLN . . . . . 0.619 ' O ' HG12 ' A' ' 231' ' ' VAL . 2.1 mt-30 -122.93 95.96 4.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.324 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 1.6 m -73.85 143.4 45.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.458 1.099 . . . . 0.0 110.456 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 225' ' ' VAL . . . . . 0.596 HG22 ' H ' ' A' ' 228' ' ' LEU . 0.2 OUTLIER -149.92 110.41 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.322 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 28.8 m95 -55.06 -40.98 70.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 108.003 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -55.38 -21.79 28.17 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.635 1.21 . . . . 0.0 111.046 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . 0.634 HD13 ' CB ' ' A' ' 179' ' ' PRO . 23.0 mt -123.95 -81.42 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 0.779 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 229' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 172.65 -82.89 0.08 OUTLIER Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.492 1.12 . . . . 0.0 110.991 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 230' ' ' TYR . . . . . 0.667 ' CE2' HG21 ' A' ' 201' ' ' ILE . 87.3 m-85 -155.64 123.27 5.6 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 0.768 . . . . 0.0 111.079 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 223' ' ' GLN . 1.3 p -119.39 163.39 16.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.553 1.158 . . . . 0.0 109.291 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.457 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 5.3 t80 -136.43 107.89 6.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.43 1.081 . . . . 0.0 111.023 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 98.2 t -111.97 96.95 36.3 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 234' ' ' PRO . . . . . 0.443 ' HA ' ' CD1' ' A' ' 221' ' ' TYR . 18.5 Cg_endo -75.07 170.63 19.97 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.45 1.763 . . . . 0.0 110.936 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -53.57 98.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.09 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . 132.49 179.18 16.02 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 26.0 t -171.84 163.77 6.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 0.783 . . . . 0.0 109.963 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -75.18 119.61 19.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.341 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.543 1.152 . . . . 0.0 109.328 179.903 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.605 ' C ' HG13 ' A' ' 137' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.605 HG13 ' C ' ' A' ' 136' ' ' ALA . 1.4 m 57.46 170.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.214 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.663 HG22 ' CE1' ' A' ' 140' ' ' PHE . 2.5 mp -134.99 113.32 15.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.445 1.091 . . . . 0.0 109.217 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.736 ' HB2' ' HG2' ' A' ' 144' ' ' LYS . . . -119.76 159.96 23.52 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 109.262 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.663 ' CE1' HG22 ' A' ' 138' ' ' ILE . 4.4 m-85 -132.34 -177.75 4.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 111.035 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.492 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -30.53 -80.96 0.01 OUTLIER Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.47 1.106 . . . . 0.0 111.036 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.537 ' C ' ' CD1' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -110.48 46.14 1.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.48 0.753 . . . . 0.0 109.335 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.599 ' CD1' ' N ' ' A' ' 143' ' ' PHE . 0.6 OUTLIER -146.6 168.22 21.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.393 1.058 . . . . 0.0 110.978 -179.932 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.736 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -160.17 116.16 2.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.749 HD12 ' HG3' ' A' ' 152' ' ' MET . 1.4 tt -121.87 154.02 37.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.418 ' CB ' ' HB ' ' A' ' 137' ' ' VAL . 63.8 t-20 -159.86 118.41 2.75 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.589 1.181 . . . . 0.0 109.31 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.557 ' HA ' ' CE2' ' A' ' 166' ' ' PHE . 1.3 mp -78.48 -45.87 21.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.365 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -58.12 -19.53 38.94 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.443 1.089 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 15.8 m -112.03 -22.27 11.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 0.718 . . . . 0.0 110.374 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 57.88 45.55 18.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.565 1.166 . . . . 0.0 110.277 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -143.65 114.51 7.73 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 110.374 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.749 ' HG3' HD12 ' A' ' 145' ' ' LEU . 0.0 OUTLIER -123.78 145.65 48.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.61 1.194 . . . . 0.0 111.059 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.428 ' N ' ' HG2' ' A' ' 152' ' ' MET . 0.0 OUTLIER -144.1 172.45 12.87 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.556 1.16 . . . . 0.0 111.063 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.523 ' HG3' ' CD2' ' A' ' 143' ' ' PHE . 0.8 OUTLIER -160.18 122.95 3.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 0.0 110.357 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 53.43 51.04 16.09 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 110.24 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 44.5 m-20 62.73 31.6 16.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.257 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 6.3 tt0 -126.02 98.51 33.18 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 147.11 33.5 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.471 1.774 . . . . 0.0 110.936 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . 0.419 ' HA ' ' HD3' ' A' ' 160' ' ' PRO . 0.4 OUTLIER -160.12 135.85 6.03 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.508 1.13 . . . . 0.0 110.951 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 159' ' ' MET . 18.2 Cg_endo -75.02 -175.89 2.6 Favored 'Trans proline' 0 C--N 1.362 1.244 0 O-C-N 124.465 1.771 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 5.0 mt -142.96 109.51 5.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.587 1.179 . . . . 0.0 109.29 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 29.6 m -50.52 151.45 2.27 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.461 1.1 . . . . 0.0 110.342 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 32.9 m -47.61 -31.37 4.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.1 . . . . 0.0 109.942 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.739 ' O ' HG23 ' A' ' 168' ' ' VAL . . . -73.81 -53.29 7.33 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.349 1.031 . . . . 0.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.565 ' HG3' HD21 ' A' ' 208' ' ' LEU . 1.2 mp0 -58.12 -63.47 1.25 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 0.752 . . . . 0.0 110.307 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.557 ' CE2' ' HA ' ' A' ' 147' ' ' LEU . 6.0 t80 -46.47 -50.77 16.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.088 . . . . 0.0 111.028 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -62.46 -53.36 56.03 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.739 HG23 ' O ' ' A' ' 164' ' ' GLY . 43.0 t -52.58 -61.04 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.533 1.145 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 1.7 tt -57.5 -35.7 70.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . 0.507 ' O ' ' CB ' ' A' ' 174' ' ' SER . 13.3 ttpp -59.44 -37.45 78.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.342 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -75.78 -35.17 60.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 109.309 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.626 HD11 ' CD1' ' A' ' 205' ' ' ILE . 1.8 mt -70.74 -57.63 4.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.385 1.053 . . . . 0.0 109.376 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.421 HG21 HD13 ' A' ' 138' ' ' ILE . 0.5 OUTLIER -66.43 -11.77 13.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.377 1.048 . . . . 0.0 109.208 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . 0.507 ' CB ' ' O ' ' A' ' 170' ' ' LYS . 0.4 OUTLIER -71.9 -35.6 69.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.396 1.06 . . . . 0.0 110.019 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -121.36 85.34 42.36 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 109.619 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 232' ' ' PHE . 18.5 Cg_endo -74.96 57.76 4.64 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 111.043 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.445 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 6.3 mtp180 162.8 -49.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.238 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.21 114.3 28.19 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.232 -179.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 179' ' ' PRO . . . . . 0.624 ' HG2' HD22 ' A' ' 228' ' ' LEU . 18.0 Cg_endo -74.99 160.61 39.99 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.498 1.788 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.516 HD22 ' HB3' ' A' ' 184' ' ' LYS . 37.9 mt -143.74 140.54 30.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 91.5 p -69.18 156.55 38.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 109.998 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.17 -38.38 17.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.329 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -73.29 -47.75 40.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.374 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . 0.516 ' HB3' HD22 ' A' ' 180' ' ' LEU . 6.1 mmtt -61.02 -15.42 31.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.364 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.609 HD21 ' HB2' ' A' ' 230' ' ' TYR . 0.9 OUTLIER -75.87 -64.51 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -66.05 -17.82 64.94 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 110.993 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -79.9 -60.6 2.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.58 1.175 . . . . 0.0 109.361 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -51.44 -49.36 61.86 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.57 1.169 . . . . 0.0 109.327 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -50.24 -59.39 4.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 173.61 123.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 193' ' ' GLU . . . -93.75 172.4 32.62 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.509 1.13 . . . . 0.0 110.962 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.78 -73.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 0.775 . . . . 0.0 110.35 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 191' ' ' GLY . 0.7 OUTLIER -51.43 127.02 18.76 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.431 1.082 . . . . 0.0 110.258 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 194' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -79.65 75.1 6.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.591 1.182 . . . . 0.0 110.964 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 2.0 t -134.48 -51.85 0.81 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.409 1.068 . . . . 0.0 109.989 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -60.37 -45.73 92.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.585 1.178 . . . . 0.0 109.345 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.48 57.56 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.105 . . . . 0.0 110.958 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -62.17 -34.31 76.16 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.585 1.178 . . . . 0.0 110.252 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -138.26 -63.38 0.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.591 1.182 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.28 123.66 0.06 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.934 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.464 ' CG2' ' CE2' ' A' ' 230' ' ' TYR . 0.8 OUTLIER -43.81 -53.87 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.592 1.182 . . . . 0.0 109.238 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 202' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 201' ' ' ILE . 1.1 t70 -39.99 -69.65 0.12 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.297 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 74.9 t -57.42 -55.26 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 204' ' ' GLN . . . . . 0.776 ' O ' HD23 ' A' ' 208' ' ' LEU . 3.1 mt-30 -43.46 -30.86 0.6 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.626 ' CD1' HD11 ' A' ' 172' ' ' LEU . 18.2 mm -80.31 -56.18 7.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 109.275 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 8.1 m -49.13 -43.55 41.67 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 109.996 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 207' ' ' ARG . . . . . 0.412 ' HB2' ' NH1' ' A' ' 207' ' ' ARG . 1.8 ptp180 -72.86 -29.39 63.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 110.32 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . 0.776 HD23 ' O ' ' A' ' 204' ' ' GLN . 0.7 OUTLIER -65.98 -30.13 70.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.256 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 209' ' ' ARG . . . . . 0.474 HH21 ' HG3' ' A' ' 219' ' ' PRO . 7.1 mtp180 -74.2 -58.99 2.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.29 -26.58 0.83 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.55 1.157 . . . . 0.0 110.274 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 43.4 mtp -67.95 -60.66 2.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.378 1.049 . . . . 0.0 110.953 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 212' ' ' VAL . . . . . 0.592 ' O ' ' CE2' ' A' ' 143' ' ' PHE . 28.1 m -72.72 -40.8 61.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.207 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.455 ' CD ' HG23 ' A' ' 212' ' ' VAL . 0.0 OUTLIER -135.86 105.92 6.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.594 1.184 . . . . 0.0 110.244 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -80.58 83.3 6.4 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.296 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -133.13 160.56 68.18 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.572 1.17 . . . . 0.0 109.247 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -45.27 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.594 1.839 . . . . 0.0 110.991 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -158.59 54.0 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.22 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -148.29 75.13 10.62 Favored Pre-proline 0 C--N 1.323 -0.557 0 O-C-N 124.512 1.132 . . . . 0.0 109.586 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 219' ' ' PRO . . . . . 0.474 ' HG3' HH21 ' A' ' 209' ' ' ARG . 18.5 Cg_endo -74.98 -159.62 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 111.061 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -169.61 -60.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.45 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.557 ' O ' ' CD1' ' A' ' 232' ' ' PHE . 30.5 m-85 -91.35 20.59 5.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 111.098 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 222' ' ' ILE . . . . . 0.571 HG12 ' CE1' ' A' ' 232' ' ' PHE . 21.2 mt -152.49 119.3 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 223' ' ' GLN . . . . . 0.535 ' O ' HG12 ' A' ' 231' ' ' VAL . 4.9 mm-40 -119.62 104.22 10.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.318 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 45.3 m -76.13 133.63 40.2 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.397 1.061 . . . . 0.0 110.376 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 225' ' ' VAL . . . . . 0.476 ' O ' ' N ' ' A' ' 229' ' ' GLY . 0.0 OUTLIER -137.54 107.31 4.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 33.8 m95 -52.86 -43.21 65.92 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 108.073 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -59.76 -22.96 58.17 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.456 1.097 . . . . 0.0 110.943 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . 0.624 HD22 ' HG2' ' A' ' 179' ' ' PRO . 5.7 mt -117.56 -87.21 0.62 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 0.799 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 229' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 173.5 -83.51 0.08 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 230' ' ' TYR . . . . . 0.609 ' HB2' HD21 ' A' ' 185' ' ' LEU . 75.2 m-85 -154.22 119.32 5.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 0.796 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . 0.617 HG22 ' H ' ' A' ' 232' ' ' PHE . 9.7 p -119.77 174.53 4.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.572 1.17 . . . . 0.0 109.322 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.617 ' H ' HG22 ' A' ' 231' ' ' VAL . 0.7 OUTLIER -128.49 103.9 7.39 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.501 1.126 . . . . 0.0 110.983 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 73.5 t -102.03 107.51 52.84 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.575 1.172 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 110.96 3.22 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.453 1.765 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 18.2 t0 54.39 173.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 109.379 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -72.97 127.02 10.8 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.517 1.136 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 1.7 t -178.68 134.03 0.13 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 0.773 . . . . 0.0 110.022 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -171.74 145.47 1.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.577 1.173 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.286 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.683 HG12 ' CG ' ' A' ' 146' ' ' ASN . 0.9 OUTLIER -124.02 179.0 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.298 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.685 HG22 ' CE1' ' A' ' 140' ' ' PHE . 3.7 mp -140.4 113.34 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 109.291 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.606 ' HB2' ' HG2' ' A' ' 144' ' ' LYS . . . -123.47 165.46 17.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.369 1.043 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.685 ' CE1' HG22 ' A' ' 138' ' ' ILE . 6.3 m-85 -143.18 -178.02 5.65 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.433 1.083 . . . . 0.0 111.077 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.564 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -22.95 -80.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.606 ' HG2' ' CE1' ' A' ' 143' ' ' PHE . 0.3 OUTLIER -114.26 42.82 2.0 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.485 0.756 . . . . 0.0 109.31 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.606 ' CE1' ' HG2' ' A' ' 142' ' ' LYS . 17.2 m-85 -137.78 163.21 31.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.941 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.606 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -161.05 107.46 1.43 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.376 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.494 ' CD1' HD11 ' A' ' 161' ' ' LEU . 1.1 tp -120.03 148.01 44.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.683 ' CG ' HG12 ' A' ' 137' ' ' VAL . 54.7 t-20 -152.28 116.59 4.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.362 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.979 HD13 ' HG2' ' A' ' 170' ' ' LYS . 7.7 mt -79.04 -34.91 43.41 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.455 1.097 . . . . 0.0 109.273 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -57.33 -24.95 53.65 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.509 1.13 . . . . 0.0 111.084 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 16.6 m -119.5 -7.14 10.19 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 0.751 . . . . 0.0 110.383 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 52.94 50.82 17.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.364 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -143.92 115.8 8.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.381 1.051 . . . . 0.0 110.37 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.465 ' HB2' ' CD1' ' A' ' 145' ' ' LEU . 13.1 ttt -128.12 143.45 51.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.458 1.099 . . . . 0.0 110.984 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.422 ' CD1' ' C ' ' A' ' 152' ' ' MET . 0.1 OUTLIER -137.61 169.88 17.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.41 ' O ' ' CG ' ' A' ' 154' ' ' ARG . 17.4 ptt85 -154.9 117.7 4.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 110.32 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 57.46 52.23 8.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.248 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 15.7 t0 63.48 23.48 13.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.292 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -122.67 99.14 42.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 110.287 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.405 ' HB3' ' CD1' ' A' ' 153' ' ' PHE . 18.3 Cg_endo -74.92 150.79 39.1 Favored 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.423 1.749 . . . . 0.0 111.017 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.07 144.59 10.87 Favored Pre-proline 0 C--N 1.327 -0.405 0 O-C-N 124.436 1.085 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -171.24 0.93 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.544 1.813 . . . . 0.0 110.983 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.494 HD11 ' CD1' ' A' ' 145' ' ' LEU . 2.0 mt -140.63 128.55 21.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.222 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 56.5 m -72.95 155.18 40.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.363 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.432 ' O ' ' CB ' ' A' ' 167' ' ' ALA . 0.9 OUTLIER -51.56 -43.18 62.3 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 109.979 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.582 ' O ' HG23 ' A' ' 168' ' ' VAL . . . -65.07 -51.39 51.16 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.54 1.15 . . . . 0.0 110.976 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.5 -68.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.406 0.709 . . . . 0.0 110.297 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.566 ' CE1' HD23 ' A' ' 147' ' ' LEU . 20.0 t80 -43.32 -49.22 6.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.947 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.432 ' CB ' ' O ' ' A' ' 163' ' ' SER . . . -62.41 -57.93 9.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.457 1.098 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.582 HG23 ' O ' ' A' ' 164' ' ' GLY . 14.9 t -47.43 -54.61 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.167 . . . . 0.0 109.359 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 170' ' ' LYS . 6.0 tp -61.6 -51.81 66.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . 0.979 ' HG2' HD13 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -39.97 -43.71 1.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -62.01 -54.79 36.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.427 1.079 . . . . 0.0 109.289 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.4 HD22 ' HB2' ' A' ' 232' ' ' PHE . 0.4 OUTLIER -57.95 -45.38 86.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.449 HG11 HD11 ' A' ' 138' ' ' ILE . 2.6 t -70.43 -19.93 22.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.441 1.088 . . . . 0.0 109.346 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 170' ' ' LYS . 30.3 t -81.1 -14.1 58.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 110.068 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -151.04 86.19 4.92 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.558 1.161 . . . . 0.0 109.628 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 131.27 14.19 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.553 1.817 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 72.85 11.5 5.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.424 ' N ' HG23 ' A' ' 231' ' ' VAL . 1.9 mm-40 -112.86 99.13 47.4 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.428 1.08 . . . . 0.0 110.219 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 179' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.16 133.73 16.7 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.452 1.764 . . . . 0.0 110.985 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.683 ' O ' HD13 ' A' ' 185' ' ' LEU . 5.8 mt -135.47 132.58 37.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.313 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 73.6 p -47.26 161.31 0.08 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.459 1.1 . . . . 0.0 110.044 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . 0.444 ' CG ' ' HB ' ' A' ' 201' ' ' ILE . 8.4 tmm_? -53.28 -31.55 44.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 110.289 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -77.98 -56.86 4.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.324 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . 0.671 ' HB3' HD22 ' A' ' 180' ' ' LEU . 45.8 mmtt -51.98 -25.01 7.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.887 HD23 HD12 ' A' ' 201' ' ' ILE . 0.3 OUTLIER -67.98 -65.82 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 109.255 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 13.0 ptm -58.6 -21.28 52.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.98 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -69.72 -46.22 66.42 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.618 1.199 . . . . 0.0 109.318 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.74 -14.52 63.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.463 1.102 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -119.65 31.23 6.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 10.8 ttt180 -97.16 83.65 3.37 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.513 1.133 . . . . 0.0 110.277 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -78.28 -158.32 11.3 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.542 1.151 . . . . 0.0 110.906 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.17 78.67 2.77 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.532 0.783 . . . . 0.0 110.293 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 66.7 120.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 110.239 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 194' ' ' TYR . . . . . 0.565 ' CE2' ' HB3' ' A' ' 195' ' ' SER . 4.8 p90 -178.48 -36.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.578 1.174 . . . . 0.0 110.991 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . 0.565 ' HB3' ' CE2' ' A' ' 194' ' ' TYR . 2.6 t -162.39 -43.65 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.937 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.515 ' O ' ' CB ' ' A' ' 197' ' ' MET . . . 39.7 61.98 1.31 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.447 1.092 . . . . 0.0 109.262 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 197' ' ' MET . . . . . 0.515 ' CB ' ' O ' ' A' ' 196' ' ' ALA . 8.2 tmm? 82.08 64.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 111.0 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 198' ' ' GLU . . . . . 0.467 ' OE1' ' CB ' ' A' ' 195' ' ' SER . 7.3 tp10 -39.11 -69.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 199' ' ' ARG . . . . . 0.464 HH11 HG11 ' A' ' 203' ' ' VAL . 12.6 ttt-85 -129.21 -56.61 1.17 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.583 1.177 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' SER . . . . . 0.473 ' HB3' HG23 ' A' ' 203' ' ' VAL . 0.1 OUTLIER 173.83 143.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.423 1.077 . . . . 0.0 109.968 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.887 HD12 HD23 ' A' ' 185' ' ' LEU . 16.4 mm -54.0 -65.36 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.278 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -40.58 -53.18 2.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.387 1.055 . . . . 0.0 109.273 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 203' ' ' VAL . . . . . 0.473 HG23 ' HB3' ' A' ' 200' ' ' SER . 86.6 t -50.71 -63.17 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 109.365 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 204' ' ' GLN . . . . . 0.415 ' NE2' ' HA3' ' A' ' 164' ' ' GLY . 0.0 OUTLIER -53.11 -53.97 42.5 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.518 1.136 . . . . 0.0 110.273 -179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.676 HG22 ' HE ' ' A' ' 209' ' ' ARG . 27.7 mm -41.47 -49.92 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 8.4 t -55.33 -46.65 76.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.422 1.077 . . . . 0.0 109.996 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -68.71 -35.61 77.38 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.428 1.08 . . . . 0.0 110.327 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . 0.6 ' O ' HG22 ' A' ' 212' ' ' VAL . 12.7 mt -70.77 -32.05 69.05 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 209' ' ' ARG . . . . . 0.676 ' HE ' HG22 ' A' ' 205' ' ' ILE . 40.5 mtm180 -65.09 -50.62 65.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.383 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.92 -16.84 63.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 14.9 mtp -78.47 -57.76 3.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 111.046 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 212' ' ' VAL . . . . . 0.612 HG23 ' HG2' ' A' ' 213' ' ' GLU . 27.0 m -75.75 -28.11 19.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.551 1.157 . . . . 0.0 109.365 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.612 ' HG2' HG23 ' A' ' 212' ' ' VAL . 0.6 OUTLIER -123.06 -148.57 0.4 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.574 1.171 . . . . 0.0 110.272 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . 0.431 ' O ' ' N ' ' A' ' 216' ' ' PRO . 11.0 tt0 -164.92 -52.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 215' ' ' ASP . . . . . 0.428 ' C ' ' O ' ' A' ' 214' ' ' GLU . 4.5 m-20 -38.46 99.09 0.18 Allowed Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.588 1.18 . . . . 0.0 109.278 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 216' ' ' PRO . . . . . 0.431 ' N ' ' O ' ' A' ' 214' ' ' GLU . 18.7 Cg_endo -75.05 55.17 3.89 Favored 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.503 1.791 . . . . 0.0 111.032 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -147.82 -54.78 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 109.286 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 218' ' ' HIS . . . . . 0.452 ' CE1' ' O ' ' A' ' 219' ' ' PRO . 1.6 t-80 -154.13 121.46 2.9 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.561 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 219' ' ' PRO . . . . . 0.452 ' O ' ' CE1' ' A' ' 218' ' ' HIS . 18.6 Cg_endo -74.91 -159.37 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.482 1.78 . . . . 0.0 111.056 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 220' ' ' ARG . . . . . 0.45 ' N ' ' OE1' ' A' ' 213' ' ' GLU . 0.1 OUTLIER -143.93 -51.69 0.32 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.531 1.144 . . . . 0.0 110.349 179.924 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.57 ' HB3' ' CZ ' ' A' ' 232' ' ' PHE . 54.0 m-85 -89.64 21.12 3.62 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.591 1.182 . . . . 0.0 111.02 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 222' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 222' ' ' ILE . 26.3 mm -148.05 116.33 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 223' ' ' GLN . . . . . 0.414 ' O ' HG12 ' A' ' 231' ' ' VAL . 1.5 mm-40 -119.79 94.65 4.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.105 . . . . 0.0 110.353 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 91.3 m -79.05 112.7 16.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.462 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 225' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 229' ' ' GLY . 2.4 t -106.09 95.54 3.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.137 . . . . 0.0 109.323 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -60.01 -20.5 58.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.557 1.161 . . . . 0.0 108.045 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -80.58 -19.87 67.51 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.534 1.146 . . . . 0.0 111.081 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . 0.415 HD12 HG11 ' A' ' 225' ' ' VAL . 0.7 OUTLIER -125.3 -73.23 0.64 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 0.753 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 229' ' ' GLY . . . . . 0.61 ' C ' ' CD1' ' A' ' 230' ' ' TYR . . . -177.58 -102.18 0.15 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.138 . . . . 0.0 111.021 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 230' ' ' TYR . . . . . 0.622 ' CE2' HG22 ' A' ' 201' ' ' ILE . 21.0 m-85 -151.89 121.39 6.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 0.772 . . . . 0.0 110.998 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . 0.608 HG22 ' H ' ' A' ' 232' ' ' PHE . 9.9 p -119.08 174.02 4.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.395 1.06 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.608 ' H ' HG22 ' A' ' 231' ' ' VAL . 5.8 t80 -136.77 109.26 7.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 81.2 t -113.49 94.75 33.38 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.525 1.141 . . . . 0.0 109.25 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -75.0 113.82 3.88 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.431 1.753 . . . . 0.0 111.038 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 10.2 t0 40.38 77.07 0.06 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 109.283 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . 57.54 -169.17 4.22 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.507 1.13 . . . . 0.0 110.987 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 12.1 t -133.69 131.87 39.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.577 0.81 . . . . 0.0 109.978 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 45.41 88.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.397 1.061 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.39 0 O-C-N 124.472 1.107 . . . . 0.0 109.223 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.494 ' O ' HG12 ' A' ' 137' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.494 HG12 ' O ' ' A' ' 136' ' ' ALA . 0.9 OUTLIER -153.72 -179.16 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.569 1.168 . . . . 0.0 109.341 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.668 ' HB ' HD22 ' A' ' 145' ' ' LEU . 3.3 mp -139.41 115.26 8.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.45 1.094 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.542 ' HB2' ' HG2' ' A' ' 144' ' ' LYS . . . -119.8 158.52 26.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 109.321 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.634 ' CD1' ' N ' ' A' ' 140' ' ' PHE . 0.3 OUTLIER -134.11 -177.91 4.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.406 1.066 . . . . 0.0 111.055 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -34.53 -79.88 0.02 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.507 1.13 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.626 ' C ' ' CD1' ' A' ' 143' ' ' PHE . 27.7 mttp -110.92 49.65 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 0.769 . . . . 0.0 109.206 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.626 ' CD1' ' C ' ' A' ' 142' ' ' LYS . 0.8 OUTLIER -152.52 168.78 24.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 110.956 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.542 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 0.2 OUTLIER -160.57 116.55 2.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.328 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.77 HD21 ' CD2' ' A' ' 147' ' ' LEU . 1.7 tt -123.9 159.42 29.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.639 ' N ' HD23 ' A' ' 145' ' ' LEU . 35.9 t-20 -160.4 114.22 2.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.436 1.085 . . . . 0.0 109.36 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.77 ' CD2' HD21 ' A' ' 145' ' ' LEU . 7.8 mt -75.98 -41.1 52.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.497 1.123 . . . . 0.0 109.234 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . 0.426 ' N ' ' OD1' ' A' ' 146' ' ' ASN . . . -60.69 -18.62 52.98 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.542 1.151 . . . . 0.0 111.06 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 75.7 m -117.11 -9.09 11.11 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.594 0.82 . . . . 0.0 110.447 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 9.0 ttp180 49.61 52.07 15.26 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.568 1.168 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.95 123.57 6.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.298 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.562 ' C ' ' CD1' ' A' ' 153' ' ' PHE . 13.6 ttt -131.0 152.86 49.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.634 1.209 . . . . 0.0 110.948 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -143.32 159.88 41.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 111.023 -179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.59 116.45 5.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 110.278 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 68.48 54.61 0.52 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 110.241 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 50.42 59.08 4.83 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.462 1.101 . . . . 0.0 109.298 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -152.13 102.11 2.81 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.457 1.098 . . . . 0.0 110.302 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 130.83 13.65 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.464 1.771 . . . . 0.0 110.997 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . 0.403 ' HA ' ' HD3' ' A' ' 160' ' ' PRO . 0.0 OUTLIER -159.48 136.82 7.0 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 159' ' ' MET . 18.5 Cg_endo -75.0 -163.49 0.19 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.438 1.757 . . . . 0.0 111.058 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.511 HD12 ' HB2' ' A' ' 166' ' ' PHE . 0.3 OUTLIER -160.08 129.91 5.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.584 1.178 . . . . 0.0 109.329 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 4.2 p -43.89 167.45 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.548 1.155 . . . . 0.0 110.382 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.429 ' CB ' ' OG ' ' A' ' 195' ' ' SER . 17.7 m -67.61 -55.22 14.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.983 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -46.17 -47.68 15.48 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.534 1.146 . . . . 0.0 110.971 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.578 ' HB3' HD21 ' A' ' 208' ' ' LEU . 39.5 mt-10 -58.58 -49.18 78.41 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.471 0.748 . . . . 0.0 110.282 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.511 ' HB2' HD12 ' A' ' 161' ' ' LEU . 4.5 t80 -61.9 -51.32 68.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 111.013 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -54.48 -62.13 1.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 109.208 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.634 ' O ' ' HB3' ' A' ' 171' ' ' ALA . 71.3 t -50.75 -60.21 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.42 1.075 . . . . 0.0 109.35 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.601 HD13 HD22 ' A' ' 208' ' ' LEU . 4.2 tp -48.02 -57.62 5.53 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.482 1.114 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . 0.706 ' CG ' HD13 ' A' ' 147' ' ' LEU . 0.4 OUTLIER -54.04 -35.51 62.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.313 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.634 ' HB3' ' O ' ' A' ' 168' ' ' VAL . . . -60.4 -42.17 95.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.225 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.403 ' CD2' ' HB2' ' A' ' 232' ' ' PHE . 0.3 OUTLIER -76.15 -37.44 57.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.459 1.099 . . . . 0.0 109.304 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.658 HG22 ' CE2' ' A' ' 232' ' ' PHE . 53.8 t -80.09 -0.95 4.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.423 1.077 . . . . 0.0 109.34 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 170' ' ' LYS . 0.8 OUTLIER -96.4 -22.25 17.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.944 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 89.8 m-70 -121.89 87.4 46.78 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 109.586 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 122.93 7.52 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.523 1.802 . . . . 0.0 111.08 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 16.2 ttt-85 63.33 35.04 12.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 110.33 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -135.83 100.53 10.94 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 110.345 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 179' ' ' PRO . . . . . 0.458 ' CG ' ' HG ' ' A' ' 228' ' ' LEU . 18.1 Cg_endo -75.03 138.56 23.11 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.553 1.817 . . . . 0.0 110.898 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 27.3 mt -143.49 134.14 25.05 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.462 1.101 . . . . 0.0 109.429 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 184' ' ' LYS . 45.9 p -59.48 146.4 40.47 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 0.0 110.01 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . 0.573 ' HB3' ' CE1' ' A' ' 230' ' ' TYR . 0.0 OUTLIER -44.94 -33.37 1.97 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.471 1.107 . . . . 0.0 110.307 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . 0.525 ' N ' ' CD ' ' A' ' 182' ' ' ARG . 2.9 t70 -64.31 -42.42 96.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.282 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 181' ' ' SER . 0.0 OUTLIER -62.09 -48.66 79.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.309 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.68 HD22 HD12 ' A' ' 201' ' ' ILE . 4.0 mp -44.49 -47.47 10.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -74.22 -52.28 12.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -48.97 -31.29 7.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.505 1.128 . . . . 0.0 109.253 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 4.4 tp -79.59 -38.92 32.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . 0.52 ' HB3' ' HB2' ' A' ' 196' ' ' ALA . . . -96.63 33.56 1.82 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -114.11 93.58 4.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.316 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -178.64 91.11 0.08 OUTLIER Glycine 0 CA--C 1.531 1.068 0 O-C-N 124.495 1.122 . . . . 0.0 111.031 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 14.6 mtp180 44.72 61.16 2.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.555 0.797 . . . . 0.0 110.357 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -172.89 94.19 0.11 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 194' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -77.56 80.85 4.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . 0.429 ' OG ' ' CB ' ' A' ' 163' ' ' SER . 0.1 OUTLIER -133.53 -48.25 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 109.947 -179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.52 ' HB2' ' HB3' ' A' ' 189' ' ' ALA . . . -69.25 -37.51 77.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.429 1.08 . . . . 0.0 109.309 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.66 53.79 2.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.75 -53.85 3.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 110.225 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 28.4 ttt85 -143.36 -67.15 0.36 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' SER . . . . . 0.423 ' O ' ' CG ' ' A' ' 204' ' ' GLN . 18.7 t -170.99 -179.65 2.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 109.973 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.68 HD12 HD22 ' A' ' 185' ' ' LEU . 1.4 mm -98.99 -60.99 2.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.335 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -43.9 -33.82 1.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.574 1.171 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 203' ' ' VAL . . . . . 0.424 ' CG1' ' N ' ' A' ' 204' ' ' GLN . 0.4 OUTLIER -80.1 -44.94 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.259 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 204' ' ' GLN . . . . . 0.424 ' N ' ' CG1' ' A' ' 203' ' ' VAL . 17.4 mm-40 -57.95 -61.95 2.16 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 110.271 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.424 ' O ' ' CG ' ' A' ' 209' ' ' ARG . 1.8 pt -49.55 -34.73 8.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 3.3 m -67.58 -38.72 84.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.971 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -80.31 -25.39 39.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.103 . . . . 0.0 110.322 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . 0.601 HD22 HD13 ' A' ' 169' ' ' LEU . 54.8 mt -77.02 -49.85 14.44 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 209' ' ' ARG . . . . . 0.495 ' HB3' HD12 ' A' ' 222' ' ' ILE . 0.1 OUTLIER -62.7 -28.63 70.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.22 -36.2 71.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.358 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 1.4 mmm -65.17 -45.68 83.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 0.0 111.088 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 212' ' ' VAL . . . . . 0.79 HG23 ' HG2' ' A' ' 213' ' ' GLU . 29.7 m -80.18 -28.51 12.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 0.0 109.375 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.79 ' HG2' HG23 ' A' ' 212' ' ' VAL . 36.6 mm-40 -113.2 -147.1 0.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 110.328 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -175.89 40.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.28 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -119.58 154.09 54.42 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -37.96 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.44 1.758 . . . . 0.0 111.028 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -155.14 51.99 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.152 . . . . 0.0 109.275 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -150.38 69.89 8.93 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 109.616 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -75.04 -159.84 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.494 1.786 . . . . 0.0 111.014 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -155.87 -60.11 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.434 1.084 . . . . 0.0 110.269 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.48 ' CD2' ' HA ' ' A' ' 234' ' ' PRO . 44.4 m-85 -87.94 21.87 2.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.11 . . . . 0.0 110.981 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 222' ' ' ILE . . . . . 0.495 HD12 ' HB3' ' A' ' 209' ' ' ARG . 14.0 mt -150.62 115.91 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.1 . . . . 0.0 109.206 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -121.0 91.85 3.62 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.372 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 224' ' ' THR . . . . . 0.413 ' OG1' ' CD1' ' A' ' 205' ' ' ILE . 98.3 m -72.86 112.42 8.88 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.484 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 225' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 229' ' ' GLY . 3.0 t -105.08 125.97 60.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.507 1.13 . . . . 0.0 109.366 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -74.21 -34.22 63.63 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -76.79 -19.52 77.61 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.5 1.125 . . . . 0.0 111.042 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . 0.479 HD13 ' HA ' ' A' ' 228' ' ' LEU . 0.2 OUTLIER -114.54 -76.03 0.58 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 0.78 . . . . 0.0 109.249 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 229' ' ' GLY . . . . . 0.572 ' C ' ' CD1' ' A' ' 230' ' ' TYR . . . 162.96 -87.84 0.1 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.505 1.128 . . . . 0.0 111.01 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 230' ' ' TYR . . . . . 0.652 ' CE2' HG22 ' A' ' 201' ' ' ILE . 37.2 m-85 -149.84 118.38 6.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.404 0.708 . . . . 0.0 111.013 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 1.4 p -119.62 155.56 22.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.658 ' CE2' HG22 ' A' ' 173' ' ' VAL . 42.2 t80 -122.59 100.86 7.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.584 1.178 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 96.3 t -110.96 98.49 38.84 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.549 1.156 . . . . 0.0 109.215 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 234' ' ' PRO . . . . . 0.48 ' HA ' ' CD2' ' A' ' 221' ' ' TYR . 18.2 Cg_endo -74.97 -165.93 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.451 1.764 . . . . 0.0 110.999 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 35.6 t0 -76.04 101.9 5.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.073 . . . . 0.0 109.347 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . 88.69 120.19 1.7 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.969 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 6.7 t -138.44 164.76 28.54 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.529 0.782 . . . . 0.0 109.991 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 7.6 tptt -79.0 110.71 14.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.297 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.534 0 O-C-N 124.515 1.134 . . . . 0.0 109.357 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.684 HG12 ' CG ' ' A' ' 146' ' ' ASN . 1.0 OUTLIER -71.61 -175.03 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.403 1.064 . . . . 0.0 109.326 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.556 HD13 HG11 ' A' ' 173' ' ' VAL . 3.0 mp -146.11 115.14 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.717 ' HB2' ' HG2' ' A' ' 144' ' ' LYS . . . -122.81 159.88 27.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.334 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.583 ' O ' ' C ' ' A' ' 141' ' ' GLY . 6.2 m-85 -134.93 -176.77 4.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.966 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.583 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -21.14 -83.33 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.549 1.155 . . . . 0.0 110.992 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.56 31.33 6.57 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 0.735 . . . . 0.0 109.353 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.588 ' CD2' ' HG3' ' A' ' 154' ' ' ARG . 1.9 m-85 -122.66 166.05 15.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.717 ' HG2' ' HB2' ' A' ' 139' ' ' ALA . 0.1 OUTLIER -160.78 110.41 1.7 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.459 1.1 . . . . 0.0 109.32 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.769 HD12 ' SD ' ' A' ' 152' ' ' MET . 1.4 tt -120.79 151.25 39.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.324 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.717 ' N ' HD23 ' A' ' 145' ' ' LEU . 52.9 t-20 -155.54 121.02 4.94 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.879 HD13 ' HG2' ' A' ' 170' ' ' LYS . 16.1 mt -80.41 -38.01 31.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.259 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -57.83 -27.03 58.74 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.539 1.149 . . . . 0.0 111.094 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 61.0 m -113.37 -15.94 12.56 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.514 0.773 . . . . 0.0 110.404 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 150' ' ' ARG . 9.1 ttp-105 57.89 48.78 12.98 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 1.067 . . . . 0.0 110.247 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -139.93 112.2 7.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.155 . . . . 0.0 110.251 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.769 ' SD ' HD12 ' A' ' 145' ' ' LEU . 23.4 ttt -121.37 141.23 51.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.553 1.158 . . . . 0.0 111.064 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.576 ' CE2' ' HB3' ' A' ' 144' ' ' LYS . 0.7 OUTLIER -156.89 167.45 30.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 111.041 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.588 ' HG3' ' CD2' ' A' ' 143' ' ' PHE . 3.5 ttt180 -156.44 113.29 3.12 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 67.4 57.97 0.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 110.311 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 15.4 t0 53.48 63.44 2.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 153' ' ' PHE . 3.6 tp10 -151.94 98.93 2.94 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.328 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.424 ' HA ' ' HB3' ' A' ' 153' ' ' PHE . 18.2 Cg_endo -74.99 121.32 6.51 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.496 1.787 . . . . 0.0 110.974 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.61 117.91 21.26 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.501 1.126 . . . . 0.0 110.939 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 154.19 42.19 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.428 1.752 . . . . 0.0 110.981 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.94 137.13 54.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.251 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 85.5 m -86.76 156.29 19.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.569 1.168 . . . . 0.0 110.442 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 29.1 p -49.68 -54.24 19.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.036 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.417 ' O ' HG23 ' A' ' 168' ' ' VAL . . . -50.68 -56.39 13.74 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.602 1.189 . . . . 0.0 110.977 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.793 ' HB3' HD21 ' A' ' 208' ' ' LEU . 0.9 OUTLIER -60.63 -68.51 0.29 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 0.74 . . . . 0.0 110.314 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.575 ' CE1' ' HG3' ' A' ' 170' ' ' LYS . 1.5 t80 -40.67 -42.75 1.79 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.416 1.073 . . . . 0.0 111.016 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -63.99 -44.44 92.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.358 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 165' ' ' GLU . 10.3 t -60.47 -59.93 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 1.7 tp -58.33 -27.42 64.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.579 1.174 . . . . 0.0 109.338 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . 0.879 ' HG2' HD13 ' A' ' 147' ' ' LEU . 0.1 OUTLIER -60.65 -65.08 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.394 1.059 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -44.66 -52.58 8.08 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.552 1.157 . . . . 0.0 109.382 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.453 ' CD2' ' HB2' ' A' ' 232' ' ' PHE . 0.3 OUTLIER -55.81 -53.59 54.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.556 HG11 HD13 ' A' ' 138' ' ' ILE . 35.3 t -65.58 -11.32 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.104 . . . . 0.0 109.345 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . 0.495 ' N ' ' O ' ' A' ' 170' ' ' LYS . 0.6 OUTLIER -83.92 -10.31 58.06 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.394 1.059 . . . . 0.0 110.028 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . 0.421 ' CD2' ' O ' ' A' ' 174' ' ' SER . 6.3 m170 -151.28 89.97 4.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.619 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 125.34 9.25 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 71.53 42.17 0.68 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.254 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -145.44 101.15 4.37 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.462 1.101 . . . . 0.0 110.35 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 179' ' ' PRO . . . . . 0.885 ' CG ' HD13 ' A' ' 228' ' ' LEU . 18.3 Cg_endo -74.99 146.84 33.16 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.492 1.785 . . . . 0.0 111.024 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -145.57 136.8 24.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 184' ' ' LYS . 5.0 t -52.28 142.71 16.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.993 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . 0.443 ' NH1' ' HB2' ' A' ' 182' ' ' ARG . 0.0 OUTLIER -47.16 -29.21 2.17 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 0.0 110.302 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -71.24 -39.61 71.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.235 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . 0.442 ' N ' ' O ' ' A' ' 181' ' ' SER . 6.4 mmtt -77.13 -14.22 59.83 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 109.327 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.724 HD12 HG12 ' A' ' 201' ' ' ILE . 0.2 OUTLIER -69.69 -66.77 0.55 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.137 . . . . 0.0 109.314 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 17.2 ptm -60.34 -26.49 66.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 190' ' ' ARG . 0.9 OUTLIER -68.16 -60.71 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.197 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 1.6 tp -51.72 -25.03 6.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.288 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -104.89 35.04 2.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 187' ' ' ASN . 0.0 OUTLIER -117.86 80.1 1.46 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.112 . . . . 0.0 110.25 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -146.93 -121.3 1.28 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.483 1.114 . . . . 0.0 111.04 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 14.1 ttt-85 -39.31 -61.84 0.73 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 0.8 . . . . 0.0 110.251 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -97.08 120.55 37.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 194' ' ' TYR . . . . . 1.023 ' CE1' ' HB3' ' A' ' 196' ' ' ALA . 9.1 t80 -39.92 -65.08 0.43 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.583 1.177 . . . . 0.0 110.975 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 47.2 t 39.04 42.28 0.66 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.521 1.138 . . . . 0.0 109.935 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 1.023 ' HB3' ' CE1' ' A' ' 194' ' ' TYR . . . -108.88 -61.81 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.98 47.2 1.26 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.568 1.168 . . . . 0.0 111.004 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -81.77 -47.58 12.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 173.77 -73.68 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.5 1.125 . . . . 0.0 110.22 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 1.6 t -179.0 145.94 0.29 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.373 1.045 . . . . 0.0 110.011 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.724 HG12 HD12 ' A' ' 185' ' ' LEU . 2.9 mp -70.24 -61.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.464 1.103 . . . . 0.0 109.335 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 202' ' ' ASP . . . . . 0.444 ' N ' ' OH ' ' A' ' 230' ' ' TYR . 0.8 OUTLIER -40.61 -35.62 0.49 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 79.8 t -78.77 -46.46 24.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 204' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 201' ' ' ILE . 1.8 mt-30 -60.75 -58.91 6.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.867 HD12 ' CG2' ' A' ' 222' ' ' ILE . 6.8 pt -52.64 -32.53 17.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.477 1.111 . . . . 0.0 109.348 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . 0.415 ' N ' HG13 ' A' ' 205' ' ' ILE . 1.6 m -67.7 -51.19 52.41 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.438 1.086 . . . . 0.0 110.018 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 3.1 mtm180 -63.01 -38.63 91.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . 0.793 HD21 ' HB3' ' A' ' 165' ' ' GLU . 75.6 mt -66.85 -30.85 71.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.214 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 209' ' ' ARG . . . . . 0.832 HH21 HG21 ' A' ' 212' ' ' VAL . 8.2 mmp_? -80.03 -50.75 9.94 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.401 1.063 . . . . 0.0 110.27 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 4.5 mtt-85 -43.58 -34.97 1.55 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.323 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -54.71 -59.5 4.64 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.55 1.156 . . . . 0.0 110.966 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 212' ' ' VAL . . . . . 0.832 HG21 HH21 ' A' ' 209' ' ' ARG . 26.2 m -79.91 -47.05 22.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 109.37 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.434 ' N ' HG23 ' A' ' 212' ' ' VAL . 11.5 mm-40 -90.64 84.82 5.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 110.314 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 215' ' ' ASP . 31.2 tt0 -39.05 -65.77 0.34 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 110.221 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 215' ' ' ASP . . . . . 0.411 ' C ' ' O ' ' A' ' 214' ' ' GLU . 18.9 m-20 -39.87 100.2 0.21 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 109.297 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 70.87 5.2 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.434 1.755 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -176.15 -57.41 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 13.8 m-70 -93.8 111.9 54.68 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.544 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -159.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.235 0 O-C-N 124.413 1.744 . . . . 0.0 111.078 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 220' ' ' ARG . . . . . 0.533 ' HG2' ' CE1' ' A' ' 221' ' ' TYR . 7.7 tpm_? -151.65 -71.26 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 0.0 110.277 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.561 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 56.2 m-85 -92.42 20.6 6.02 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 222' ' ' ILE . . . . . 0.867 ' CG2' HD12 ' A' ' 205' ' ' ILE . 16.0 mm -148.04 117.02 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 223' ' ' GLN . . . . . 0.481 ' O ' HG23 ' A' ' 225' ' ' VAL . 2.5 mm-40 -119.67 92.08 3.7 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.605 1.19 . . . . 0.0 110.337 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 224' ' ' THR . . . . . 0.582 ' OG1' HD11 ' A' ' 205' ' ' ILE . 54.2 m -67.71 112.15 4.65 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.43 1.081 . . . . 0.0 110.388 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 225' ' ' VAL . . . . . 0.483 ' O ' ' N ' ' A' ' 229' ' ' GLY . 37.6 t -112.93 136.65 48.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.142 . . . . 0.0 109.374 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 83.5 m95 -72.72 -71.79 0.28 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -40.01 -33.37 0.45 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.417 1.073 . . . . 0.0 111.017 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . 0.885 HD13 ' CG ' ' A' ' 179' ' ' PRO . 7.2 mt -97.99 -85.05 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.462 0.742 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 229' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 161.01 -84.77 0.12 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.483 1.115 . . . . 0.0 111.019 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 230' ' ' TYR . . . . . 0.59 ' CD2' ' HG ' ' A' ' 185' ' ' LEU . 38.5 m-85 -142.23 116.52 9.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 0.731 . . . . 0.0 110.969 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -119.63 146.98 23.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.406 1.066 . . . . 0.0 109.345 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.561 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 4.4 t80 -119.7 99.33 6.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.52 1.137 . . . . 0.0 111.083 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 76.8 t -108.32 101.86 44.15 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 234' ' ' PRO . . . . . 0.471 ' HA ' ' CD2' ' A' ' 221' ' ' TYR . 18.2 Cg_endo -74.99 161.65 38.45 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.465 1.771 . . . . 0.0 110.976 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 40.63 85.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -37.86 127.23 1.5 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.49 1.118 . . . . 0.0 111.001 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.54 -58.19 2.83 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 0.759 . . . . 0.0 109.971 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.98 119.25 38.74 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.4 1.062 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.427 1.079 . . . . 0.0 109.346 -179.995 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.568 ' O ' HG22 ' A' ' 137' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 136' ' ' ALA . 1.4 m 46.34 -173.88 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 145' ' ' LEU . 3.6 mp -123.69 100.89 8.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.568 1.167 . . . . 0.0 109.274 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.763 ' HB2' ' HB2' ' A' ' 144' ' ' LYS . . . -120.32 135.35 55.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 109.335 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.451 ' CD2' ' CE2' ' A' ' 221' ' ' TYR . 4.2 p90 -157.04 79.99 0.92 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 129.33 -99.37 0.47 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.5 1.125 . . . . 0.0 111.009 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 154' ' ' ARG . 1.2 mptt -133.67 9.93 3.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.571 0.806 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.92 153.65 48.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.433 1.083 . . . . 0.0 111.021 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.763 ' HB2' ' HB2' ' A' ' 139' ' ' ALA . 0.1 OUTLIER -141.16 138.19 33.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.265 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.755 HD13 HD13 ' A' ' 169' ' ' LEU . 0.8 OUTLIER -123.65 132.09 53.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.399 1.062 . . . . 0.0 109.267 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.519 ' HB2' ' CG1' ' A' ' 137' ' ' VAL . 28.8 t-20 -134.21 112.18 10.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.43 1.081 . . . . 0.0 109.342 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.541 ' HB3' ' CZ ' ' A' ' 166' ' ' PHE . 15.6 mt -76.34 -41.7 47.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.172 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -54.19 -25.49 32.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.12 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 20.8 m -119.04 -7.16 10.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.499 0.764 . . . . 0.0 110.401 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 150' ' ' ARG . 0.0 OUTLIER 45.8 53.91 8.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.644 1.215 . . . . 0.0 110.32 179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.458 ' HB3' ' CE2' ' A' ' 153' ' ' PHE . 7.3 mm-40 -144.75 116.01 7.98 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.552 1.157 . . . . 0.0 110.297 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.471 ' O ' ' N ' ' A' ' 159' ' ' MET . 8.6 ttt -119.28 144.57 46.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 111.082 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.553 ' CD1' ' N ' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -156.45 151.6 26.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 110.934 -179.906 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.542 ' O ' ' CB ' ' A' ' 155' ' ' GLU . 0.0 OUTLIER -127.12 103.67 7.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.135 . . . . 0.0 110.329 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.542 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 5.7 tt0 89.2 -32.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.312 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.434 ' CB ' ' O ' ' A' ' 155' ' ' GLU . 0.9 OUTLIER 160.7 -28.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.13 . . . . 0.0 109.301 -179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.41 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 1.3 mt-10 -62.45 125.41 85.85 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.389 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.86 147.41 34.56 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.552 1.817 . . . . 0.0 111.036 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . 0.471 ' N ' ' O ' ' A' ' 152' ' ' MET . 20.0 mtp -140.33 105.11 6.56 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . 0.431 ' HA ' HH21 ' A' ' 150' ' ' ARG . 18.3 Cg_endo -74.91 147.13 33.9 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.411 1.743 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 4.5 mt -121.94 132.96 54.82 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.38 1.05 . . . . 0.0 109.232 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . 0.512 HG22 ' N ' ' A' ' 163' ' ' SER . 32.7 m -78.38 171.56 14.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 110.539 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.512 ' N ' HG22 ' A' ' 162' ' ' THR . 57.9 m -56.31 -50.65 70.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.446 1.091 . . . . 0.0 109.945 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.602 ' O ' HG23 ' A' ' 168' ' ' VAL . . . -63.98 -44.98 95.16 Favored Glycine 0 CA--C 1.528 0.901 0 O-C-N 124.53 1.144 . . . . 0.0 111.073 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 168' ' ' VAL . 70.4 mt-10 -57.5 -65.97 0.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.397 0.704 . . . . 0.0 110.259 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.553 ' CE1' ' HG3' ' A' ' 170' ' ' LYS . 2.5 t80 -44.93 -28.18 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 0.0 111.071 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -77.46 -41.59 39.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.884 HG22 HD13 ' A' ' 201' ' ' ILE . 71.2 t -62.36 -59.61 4.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.755 HD13 HD13 ' A' ' 145' ' ' LEU . 1.6 mt -58.88 -24.16 61.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . 0.553 ' HG3' ' CE1' ' A' ' 166' ' ' PHE . 0.0 OUTLIER -62.3 -67.78 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 1.147 . . . . 0.0 109.368 179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 175' ' ' HIS . . . -50.29 -45.58 54.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.153 . . . . 0.0 109.285 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.567 HD11 ' HB3' ' A' ' 230' ' ' TYR . 1.1 tp -61.22 -43.24 99.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.402 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 169' ' ' LEU . 61.0 t -80.0 -1.7 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.374 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 170' ' ' LYS . 1.0 OUTLIER -123.47 11.82 9.3 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.984 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . 0.423 ' N ' ' O ' ' A' ' 171' ' ' ALA . 10.4 m-70 -123.17 76.07 51.38 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.567 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 103.07 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.547 1.814 . . . . 0.0 110.983 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.405 ' HB3' ' NH1' ' A' ' 177' ' ' ARG . 16.3 ttm105 56.6 48.37 16.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.524 1.14 . . . . 0.0 110.343 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.417 ' H ' HG23 ' A' ' 231' ' ' VAL . 1.4 tm-20 -156.0 92.53 2.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 179' ' ' PRO . . . . . 0.573 ' HG2' HD13 ' A' ' 228' ' ' LEU . 18.4 Cg_endo -74.93 144.23 30.25 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.57 1.826 . . . . 0.0 111.045 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' ' 180' ' ' LEU . 2.7 tp -142.74 137.98 30.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 109.239 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . 0.424 ' O ' ' N ' ' A' ' 184' ' ' LYS . 3.6 m -48.22 137.19 11.14 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.129 . . . . 0.0 110.038 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . 0.674 ' HA ' HD13 ' A' ' 185' ' ' LEU . 0.1 OUTLIER -46.33 -26.97 0.92 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.494 1.121 . . . . 0.0 110.309 -179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.37 -36.69 78.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.357 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 181' ' ' SER . 2.9 mmtm -76.87 -36.7 56.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.387 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.674 HD13 ' HA ' ' A' ' 182' ' ' ARG . 4.9 mp -53.43 -47.22 69.84 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . 0.579 ' O ' ' HB3' ' A' ' 189' ' ' ALA . 0.3 OUTLIER -75.21 -51.71 12.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.133 . . . . 0.0 111.047 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -52.04 -57.94 8.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.323 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 41.1 tp -52.74 -32.85 45.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.258 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 186' ' ' MET . . . -66.51 -59.0 4.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.295 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.05 38.51 0.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.412 1.07 . . . . 0.0 110.233 179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -74.1 161.9 54.03 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.4 -39.9 0.74 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 110.279 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -93.19 117.2 29.79 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.49 1.119 . . . . 0.0 110.36 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 194' ' ' TYR . . . . . 0.601 ' CD1' ' N ' ' A' ' 195' ' ' SER . 26.1 p90 -38.43 -38.54 0.38 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . 0.601 ' N ' ' CD1' ' A' ' 194' ' ' TYR . 0.3 OUTLIER 45.7 84.72 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.916 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.414 ' HB2' ' HE3' ' A' ' 186' ' ' MET . . . -163.39 -48.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 28.4 ttm -96.41 33.88 1.72 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.075 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -126.67 -46.02 1.6 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.516 1.135 . . . . 0.0 110.256 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -166.72 90.73 0.4 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 110.331 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 3.8 m -40.92 158.47 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.44 1.087 . . . . 0.0 110.064 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.884 HD13 HG22 ' A' ' 168' ' ' VAL . 3.4 mm -55.85 -47.95 78.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 109.369 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -55.23 37.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 55.8 t -55.17 -59.88 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.463 1.102 . . . . 0.0 109.26 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 204' ' ' GLN . . . . . 0.556 ' O ' HD23 ' A' ' 208' ' ' LEU . 0.0 OUTLIER -50.66 -55.75 15.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.245 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.556 HG13 ' CD2' ' A' ' 230' ' ' TYR . 4.6 mm -44.72 -54.02 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.459 1.1 . . . . 0.0 109.297 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.43 -45.51 18.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.944 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.17 -31.52 70.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . 0.621 ' O ' HG22 ' A' ' 212' ' ' VAL . 4.6 mm? -71.45 -29.75 65.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.113 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 209' ' ' ARG . . . . . 0.42 ' O ' ' N ' ' A' ' 213' ' ' GLU . 42.8 mtt180 -66.32 -43.48 86.08 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -23.32 62.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.345 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 34.3 ttm -70.88 -60.91 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 111.027 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 212' ' ' VAL . . . . . 0.894 HG23 ' HG2' ' A' ' 213' ' ' GLU . 16.0 m -79.96 -32.91 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.894 ' HG2' HG23 ' A' ' 212' ' ' VAL . 3.6 mm-40 -122.28 -148.27 0.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 110.31 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 215' ' ' ASP . 2.6 tm-20 -172.11 -47.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.325 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 215' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 214' ' ' GLU . 8.1 t0 -39.81 100.12 0.21 Allowed Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.333 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 216' ' ' PRO . . . . . 0.4 ' N ' ' O ' ' A' ' 214' ' ' GLU . 18.2 Cg_endo -75.01 56.01 4.13 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.507 1.793 . . . . 0.0 110.946 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . 0.464 ' O ' ' CG ' ' A' ' 218' ' ' HIS . . . -148.46 -52.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 218' ' ' HIS . . . . . 0.464 ' CG ' ' O ' ' A' ' 217' ' ' ALA . 7.4 m170 -167.2 117.06 0.71 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.648 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -159.59 0.09 OUTLIER 'Trans proline' 0 C--N 1.358 1.069 0 O-C-N 124.455 1.766 . . . . 0.0 111.049 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? -129.02 -54.69 1.2 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.347 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.58 ' O ' HD13 ' A' ' 222' ' ' ILE . 87.4 m-85 -88.31 21.62 2.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.967 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 222' ' ' ILE . . . . . 0.58 HD13 ' O ' ' A' ' 221' ' ' TYR . 17.5 mm -142.43 114.24 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.413 1.07 . . . . 0.0 109.308 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 223' ' ' GLN . . . . . 0.516 ' O ' HG12 ' A' ' 231' ' ' VAL . 1.1 mt-30 -119.52 81.96 1.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 110.353 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 224' ' ' THR . . . . . 0.444 HG23 ' CD2' ' A' ' 230' ' ' TYR . 41.7 m -86.21 115.14 23.58 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 225' ' ' VAL . . . . . 0.479 ' O ' ' N ' ' A' ' 229' ' ' GLY . 0.0 OUTLIER -118.02 99.01 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 109.294 179.909 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 1.9 p90 -50.55 -35.07 28.04 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.942 -1.133 . . . . 0.0 107.942 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -60.69 -25.47 63.56 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.516 1.135 . . . . 0.0 111.072 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . 0.573 HD13 ' HG2' ' A' ' 179' ' ' PRO . 5.4 mt -118.78 -74.16 0.62 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 0.775 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 229' ' ' GLY . . . . . 0.55 ' C ' ' CD1' ' A' ' 230' ' ' TYR . . . 179.85 -108.5 0.24 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.473 1.108 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 230' ' ' TYR . . . . . 0.567 ' HB3' HD11 ' A' ' 172' ' ' LEU . 30.6 m-85 -147.59 115.27 6.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.457 0.74 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 223' ' ' GLN . 3.3 p -119.65 161.28 19.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.567 ' CE1' ' HB3' ' A' ' 221' ' ' TYR . 5.0 t80 -124.68 100.6 6.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.973 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 233' ' ' VAL . . . . . 0.676 HG21 ' HB2' ' A' ' 239' ' ' ALA . 55.1 t -106.66 103.61 47.43 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.276 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 167.23 27.51 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.469 1.773 . . . . 0.0 110.997 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -50.65 97.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.241 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . 178.77 -130.79 1.6 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.09 -162.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 109.976 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.85 173.22 10.57 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 239' ' ' ALA . . . . . 0.676 ' HB2' HG21 ' A' ' 233' ' ' VAL . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.734 HG12 ' CG ' ' A' ' 146' ' ' ASN . 1.0 OUTLIER -70.26 -178.37 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.442 1.089 . . . . 0.0 109.207 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.867 HG12 HG21 ' A' ' 173' ' ' VAL . 1.9 mp -141.7 111.69 2.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.484 ' CB ' ' HA ' ' A' ' 144' ' ' LYS . . . -124.07 155.05 39.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.314 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.58 ' HB2' ' CD1' ' A' ' 143' ' ' PHE . 7.6 m-85 -129.87 -177.97 4.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 111.027 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.508 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -28.06 -81.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.569 1.168 . . . . 0.0 111.067 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.504 ' C ' ' CD1' ' A' ' 143' ' ' PHE . 1.6 mttt -108.59 43.57 1.23 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.435 0.726 . . . . 0.0 109.345 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.582 ' CD2' ' HG3' ' A' ' 154' ' ' ARG . 0.7 OUTLIER -144.02 161.77 37.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 111.003 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.484 ' HA ' ' CB ' ' A' ' 139' ' ' ALA . 0.0 OUTLIER -159.93 108.42 1.73 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.216 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.714 HD12 ' SD ' ' A' ' 152' ' ' MET . 5.2 tt -120.13 157.15 29.6 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.494 1.121 . . . . 0.0 109.272 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.734 ' CG ' HG12 ' A' ' 137' ' ' VAL . 56.6 t-20 -156.96 127.02 6.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.253 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.648 ' CD1' HD21 ' A' ' 145' ' ' LEU . 2.0 mp -80.06 -49.44 11.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -53.64 -32.12 46.2 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.452 1.095 . . . . 0.0 111.028 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . 0.459 ' OG1' ' ND2' ' A' ' 146' ' ' ASN . 85.4 m -102.06 -14.11 17.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 0.737 . . . . 0.0 110.401 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 49.08 52.4 14.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 110.381 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.417 ' HB3' ' CE1' ' A' ' 153' ' ' PHE . 27.7 mm-40 -147.64 117.73 7.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 110.338 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.714 ' SD ' HD12 ' A' ' 145' ' ' LEU . 10.2 ttt -125.49 154.93 41.32 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.473 1.108 . . . . 0.0 110.986 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.537 ' CD1' ' O ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -157.89 172.41 18.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 111.0 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.582 ' HG3' ' CD2' ' A' ' 143' ' ' PHE . 0.1 OUTLIER -160.14 123.53 3.54 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 110.233 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 57.66 50.81 10.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 110.286 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 2.2 t0 62.2 23.7 14.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.419 1.075 . . . . 0.0 109.236 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.465 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 3.1 tm-20 -110.43 103.21 53.68 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.316 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.22 21.4 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.542 1.812 . . . . 0.0 110.93 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 1.5 ptm -160.0 127.82 2.79 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -164.56 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.482 1.78 . . . . 0.0 111.016 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.571 HD11 ' CD1' ' A' ' 145' ' ' LEU . 6.0 mt -143.68 138.54 28.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . 0.46 HG22 ' H ' ' A' ' 164' ' ' GLY . 31.0 m -75.0 149.23 39.33 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.541 1.151 . . . . 0.0 110.372 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 50.0 m -45.41 -37.27 4.93 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.93 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.916 ' O ' HG23 ' A' ' 168' ' ' VAL . . . -72.6 -52.01 10.89 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.556 1.16 . . . . 0.0 110.97 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.449 ' N ' ' OE1' ' A' ' 204' ' ' GLN . 0.1 OUTLIER -55.97 -64.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 0.757 . . . . 0.0 110.324 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.526 ' CE2' ' HA ' ' A' ' 147' ' ' LEU . 5.3 t80 -43.87 -50.71 7.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.113 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.614 ' HB1' ' CB ' ' A' ' 189' ' ' ALA . . . -59.99 -49.38 77.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.916 HG23 ' O ' ' A' ' 164' ' ' GLY . 79.6 t -57.08 -61.49 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.531 1.144 . . . . 0.0 109.388 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.626 ' HB2' HD13 ' A' ' 208' ' ' LEU . 5.0 tt -58.74 -19.7 42.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . 0.501 ' O ' ' CB ' ' A' ' 174' ' ' SER . 22.4 tttt -79.89 -55.19 5.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.076 . . . . 0.0 109.324 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.648 ' HA ' HD22 ' A' ' 188' ' ' LEU . . . -61.23 -26.29 67.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 109.258 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.802 HD22 ' HB2' ' A' ' 232' ' ' PHE . 2.3 mt -79.92 -50.69 10.09 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.519 1.137 . . . . 0.0 109.277 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.867 HG21 HG12 ' A' ' 138' ' ' ILE . 0.6 OUTLIER -78.1 0.12 3.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.545 1.153 . . . . 0.0 109.344 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 170' ' ' LYS . 7.4 m -95.95 -22.68 17.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.609 1.193 . . . . 0.0 109.942 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . 0.419 ' NE2' ' OE2' ' A' ' 178' ' ' GLU . 0.0 OUTLIER -121.03 89.63 46.31 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.609 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.14 120.02 5.85 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.466 1.771 . . . . 0.0 110.958 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 62.39 31.09 17.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 110.283 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.419 ' OE2' ' NE2' ' A' ' 175' ' ' HIS . 0.2 OUTLIER -131.72 88.61 41.97 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 110.276 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 179' ' ' PRO . . . . . 0.474 ' HG2' HD12 ' A' ' 228' ' ' LEU . 18.4 Cg_endo -74.92 138.94 23.9 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.515 1.797 . . . . 0.0 111.042 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.802 HD22 ' HG3' ' A' ' 184' ' ' LYS . 6.4 mt -142.53 165.77 26.48 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.487 1.117 . . . . 0.0 109.178 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.17 154.75 33.83 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.431 1.082 . . . . 0.0 109.989 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . 0.504 ' HG3' ' CE1' ' A' ' 230' ' ' TYR . 0.0 OUTLIER -51.47 -33.03 29.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 110.285 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -68.67 -48.81 62.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.589 1.181 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . 0.802 ' HG3' HD22 ' A' ' 180' ' ' LEU . 2.4 mmtt -52.65 -35.6 55.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 0.0 109.243 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.764 HD22 HD12 ' A' ' 201' ' ' ILE . 5.4 mp -57.63 -64.47 0.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.244 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 21.7 ptm -62.24 -24.33 67.19 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 111.044 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -77.76 -32.72 52.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.11 . . . . 0.0 109.256 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.648 HD22 ' HA ' ' A' ' 171' ' ' ALA . 3.8 tt -69.3 -39.6 78.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . 0.614 ' CB ' ' HB1' ' A' ' 167' ' ' ALA . . . -53.82 -62.93 1.34 Allowed 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.529 1.143 . . . . 0.0 109.32 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 39.54 85.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.571 1.169 . . . . 0.0 110.269 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -108.53 -93.65 2.3 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.428 1.08 . . . . 0.0 111.049 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 179.85 -37.96 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 0.772 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -69.35 176.78 3.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.249 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 194' ' ' TYR . . . . . . . . . . . . . 13.2 t80 -70.4 78.37 0.55 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.516 1.135 . . . . 0.0 110.974 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 17.7 t -126.93 44.77 2.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.051 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -128.45 -66.8 0.83 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.292 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 3.4 tpt -42.56 -34.91 0.94 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.86 62.63 4.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.324 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.68 80.97 7.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.619 1.199 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' SER . . . . . 0.503 ' O ' ' CG ' ' A' ' 204' ' ' GLN . 0.1 OUTLIER -135.12 78.91 1.76 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.605 1.191 . . . . 0.0 109.949 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.764 HD12 HD22 ' A' ' 185' ' ' LEU . 2.8 mm -80.83 -71.08 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -44.15 -28.74 0.53 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.438 1.086 . . . . 0.0 109.2 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 203' ' ' VAL . . . . . 0.413 ' N ' ' C ' ' A' ' 201' ' ' ILE . 66.7 t -80.08 -55.85 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.215 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 204' ' ' GLN . . . . . 0.503 ' CG ' ' O ' ' A' ' 200' ' ' SER . 14.3 mm-40 -50.24 -58.51 5.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.46 1.1 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . . . . . . . . . 4.4 pt -48.57 -26.99 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.298 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.29 -36.52 58.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.999 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 207' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 204' ' ' GLN . 67.1 mtt180 -79.12 -34.22 43.58 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.382 1.051 . . . . 0.0 110.33 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . 0.626 HD13 ' HB2' ' A' ' 169' ' ' LEU . 17.0 mt -72.1 -31.81 66.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.587 1.179 . . . . 0.0 109.259 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 209' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 213' ' ' GLU . 3.9 mmp_? -72.92 -43.87 61.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.386 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 1.1 ttt180 -69.08 -17.82 63.92 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.485 1.116 . . . . 0.0 110.345 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 1.5 ttp -75.11 -62.56 1.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 111.044 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 212' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 208' ' ' LEU . 6.5 m -81.08 -34.46 13.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 209' ' ' ARG . 17.0 mm-40 -115.12 88.61 2.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -70.6 61.98 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.339 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -134.13 153.32 79.52 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -32.36 5.4 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.468 1.772 . . . . 0.0 111.047 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -158.45 61.96 0.44 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.517 1.136 . . . . 0.0 109.233 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 1.3 t-80 -144.21 69.94 16.08 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 109.484 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -159.63 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.494 1.787 . . . . 0.0 110.961 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 220' ' ' ARG . . . . . 0.583 ' HG2' ' CE1' ' A' ' 221' ' ' TYR . 0.0 OUTLIER -179.78 -67.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.467 1.104 . . . . 0.0 110.294 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.736 ' O ' HD13 ' A' ' 222' ' ' ILE . 42.1 m-85 -88.49 21.14 3.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 222' ' ' ILE . . . . . 0.736 HD13 ' O ' ' A' ' 221' ' ' TYR . 18.9 mm -143.71 117.34 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.387 1.055 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -119.21 88.76 2.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.417 1.073 . . . . 0.0 110.314 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 33.5 m -83.31 113.16 20.51 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.453 1.096 . . . . 0.0 110.364 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 225' ' ' VAL . . . . . 0.47 HG23 ' H ' ' A' ' 229' ' ' GLY . 35.0 m -125.36 119.3 55.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -67.0 -33.1 74.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.614 1.197 . . . . 0.0 108.038 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -59.1 -21.9 54.2 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.4 1.063 . . . . 0.0 111.018 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . 0.474 HD12 ' HG2' ' A' ' 179' ' ' PRO . 0.2 OUTLIER -128.53 -76.64 0.56 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 0.71 . . . . 0.0 109.304 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 229' ' ' GLY . . . . . 0.47 ' H ' HG23 ' A' ' 225' ' ' VAL . . . 176.67 -115.91 0.53 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.432 1.083 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 230' ' ' TYR . . . . . 0.575 ' HB2' HD11 ' A' ' 185' ' ' LEU . 11.7 m-85 -136.06 114.53 11.76 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.363 0.684 . . . . 0.0 110.998 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . . . . . . . . . 3.1 p -119.47 156.25 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.298 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.802 ' HB2' HD22 ' A' ' 172' ' ' LEU . 30.0 t80 -119.81 98.77 6.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 111.081 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 73.2 t -106.04 104.35 49.03 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.371 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 115.59 4.33 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.558 1.82 . . . . 0.0 110.952 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.53 117.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 109.258 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -42.36 104.21 0.05 OUTLIER Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 111.071 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 90.4 p -162.36 174.29 12.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.586 0.815 . . . . 0.0 109.987 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 1.5 tttp -87.73 -63.56 1.28 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.966 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.368 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.924 ' O ' HD13 ' A' ' 138' ' ' ILE . 0.9 OUTLIER -133.13 -176.52 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.924 HD13 ' O ' ' A' ' 137' ' ' VAL . 1.4 mm -134.93 107.15 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.11 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.494 ' CB ' ' HA ' ' A' ' 144' ' ' LYS . . . -129.87 156.41 44.42 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.538 1.149 . . . . 0.0 109.239 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.638 ' HE1' HG22 ' A' ' 138' ' ' ILE . 0.9 OUTLIER -135.6 79.26 1.77 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.924 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 57.2 -82.52 0.01 OUTLIER Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.416 1.073 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.478 ' N ' ' O ' ' A' ' 140' ' ' PHE . 0.0 OUTLIER -78.22 -41.62 33.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.546 0.792 . . . . 0.0 109.331 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.597 ' CE1' ' O ' ' A' ' 212' ' ' VAL . 56.5 m-85 -73.86 162.43 29.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 111.037 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.494 ' HA ' ' CB ' ' A' ' 139' ' ' ALA . 2.3 ptpp? -160.39 105.28 1.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.349 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.859 HD12 ' H ' ' A' ' 146' ' ' ASN . 0.1 OUTLIER -122.91 159.95 27.17 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.386 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.859 ' H ' HD12 ' A' ' 145' ' ' LEU . 64.7 t-20 -160.23 122.52 3.29 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.415 1.072 . . . . 0.0 109.221 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.619 HD12 HD11 ' A' ' 145' ' ' LEU . 8.6 mp -83.97 -44.26 14.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 109.219 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -60.02 -13.69 28.12 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.505 1.128 . . . . 0.0 111.035 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 33.6 m -114.6 -33.83 5.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.406 0.71 . . . . 0.0 110.328 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 6.4 ttp85 74.43 42.94 0.29 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.383 1.052 . . . . 0.0 110.329 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -150.41 120.7 7.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.28 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.522 ' C ' ' CD1' ' A' ' 153' ' ' PHE . 10.2 ttt -128.49 142.82 50.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.455 1.097 . . . . 0.0 111.038 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.522 ' CD1' ' C ' ' A' ' 152' ' ' MET . 0.2 OUTLIER -134.47 169.27 17.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 0.0 111.042 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.41 ' HG3' ' CE1' ' A' ' 143' ' ' PHE . 1.3 tmt_? -148.56 115.85 6.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.351 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 51.87 62.25 2.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 1.112 . . . . 0.0 110.303 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 54.25 61.23 3.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -152.29 102.6 2.77 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.506 1.129 . . . . 0.0 110.375 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.413 ' HA ' ' CD1' ' A' ' 153' ' ' PHE . 18.1 Cg_endo -75.03 125.34 9.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.499 1.789 . . . . 0.0 110.949 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . . . . . . . . . 6.9 ptm -145.9 130.16 8.72 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.569 1.168 . . . . 0.0 110.948 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -179.74 5.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.538 1.809 . . . . 0.0 110.927 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.416 HD11 ' HB3' ' A' ' 152' ' ' MET . 3.3 mp -135.49 118.98 16.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.473 1.108 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . 0.615 HG22 ' H ' ' A' ' 164' ' ' GLY . 19.5 m -53.55 142.62 22.03 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.123 . . . . 0.0 110.409 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 1.5 p -44.67 -30.28 0.9 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 110.013 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . 0.615 ' H ' HG22 ' A' ' 162' ' ' THR . . . -74.1 -41.64 38.93 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.466 1.104 . . . . 0.0 111.042 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.646 ' HA ' HD21 ' A' ' 208' ' ' LEU . 31.7 mt-10 -62.04 -70.14 0.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 0.744 . . . . 0.0 110.314 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.593 ' CE2' ' HA ' ' A' ' 147' ' ' LEU . 4.1 t80 -40.88 -46.0 2.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 110.933 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 1.06 ' HB1' ' HB1' ' A' ' 189' ' ' ALA . . . -58.68 -61.73 2.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.674 HG22 HD11 ' A' ' 201' ' ' ILE . 41.6 t -55.06 -55.68 14.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . . . . . . . . . 5.1 tt -49.35 -50.64 39.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.422 1.076 . . . . 0.0 109.277 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . 0.585 ' HA ' HG12 ' A' ' 173' ' ' VAL . 14.8 tmtt? -53.83 -41.86 67.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.401 1.063 . . . . 0.0 109.274 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 185' ' ' LEU . . . -65.27 -30.02 70.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.275 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.646 HD11 ' CD1' ' A' ' 205' ' ' ILE . 1.4 mt -80.28 -50.11 10.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.585 HG12 ' HA ' ' A' ' 170' ' ' LYS . 1.1 p -78.11 -0.15 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.218 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 170' ' ' LYS . 0.5 OUTLIER -73.44 -24.9 60.3 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . 0.426 ' HB2' HD11 ' A' ' 180' ' ' LEU . 0.1 OUTLIER -146.89 95.7 4.44 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 109.565 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . 0.456 ' O ' ' CB ' ' A' ' 177' ' ' ARG . 18.2 Cg_endo -75.01 138.06 22.5 Favored 'Trans proline' 0 C--N 1.361 1.225 0 O-C-N 124.47 1.774 . . . . 0.0 111.043 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.456 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 4.7 ttm180 80.87 -55.78 0.31 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.297 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -70.71 115.18 33.02 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.62 1.2 . . . . 0.0 110.259 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 179' ' ' PRO . . . . . 0.403 ' HA ' ' HB ' ' A' ' 231' ' ' VAL . 18.0 Cg_endo -75.08 155.01 42.52 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.552 1.817 . . . . 0.0 110.948 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.599 HD13 ' CD1' ' A' ' 188' ' ' LEU . 49.3 mt -132.71 161.96 32.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 184' ' ' LYS . 28.2 p -84.13 150.09 25.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . 0.46 ' HA ' HD13 ' A' ' 185' ' ' LEU . 0.3 OUTLIER -47.65 -34.66 8.34 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.496 1.122 . . . . 0.0 110.277 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . 0.43 ' O ' ' ND2' ' A' ' 187' ' ' ASN . 91.9 m-20 -70.04 -36.15 74.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.426 1.079 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 181' ' ' SER . 0.0 OUTLIER -79.82 -8.76 59.47 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.13 . . . . 0.0 109.339 179.953 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.582 HD22 HD12 ' A' ' 201' ' ' ILE . 0.1 OUTLIER -78.34 -61.97 1.83 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -69.0 -30.95 69.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 110.965 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 183' ' ' ASP . 52.8 m-20 -63.25 -54.76 32.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.245 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.599 ' CD1' HD13 ' A' ' 180' ' ' LEU . 11.5 mt -53.42 -20.76 5.01 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 109.368 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . 1.06 ' HB1' ' HB1' ' A' ' 167' ' ' ALA . . . -103.09 40.65 1.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -79.97 55.72 2.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 110.263 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -86.32 168.36 40.35 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.569 1.168 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.9 -44.01 14.23 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.447 0.734 . . . . 0.0 110.29 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.61 141.23 58.85 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.377 1.048 . . . . 0.0 110.253 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 194' ' ' TYR . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 197' ' ' MET . 0.2 OUTLIER -38.96 -63.4 0.53 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 111.1 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 47.4 t 39.61 46.73 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.583 1.177 . . . . 0.0 110.055 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -148.82 -60.99 0.23 Allowed 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 197' ' ' MET . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 194' ' ' TYR . 0.0 OUTLIER -88.94 37.1 0.83 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -135.19 81.64 1.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.291 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 199' ' ' ARG . . . . . 0.43 ' HG2' HG12 ' A' ' 203' ' ' VAL . 2.1 mtt180 68.92 99.74 0.06 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.64 145.26 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.581 1.176 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.674 HD11 HG22 ' A' ' 168' ' ' VAL . 0.3 OUTLIER -42.49 -49.79 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 202' ' ' ASP . . . . . 0.409 ' N ' HG22 ' A' ' 201' ' ' ILE . 6.8 t70 -49.29 -55.45 12.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.368 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 203' ' ' VAL . . . . . 0.43 HG12 ' HG2' ' A' ' 199' ' ' ARG . 85.3 t -61.45 -51.6 70.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.573 1.171 . . . . 0.0 109.308 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 204' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -49.55 -51.6 35.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 110.27 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.646 ' CD1' HD11 ' A' ' 172' ' ' LEU . 4.6 mm -48.46 -48.78 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 2.1 t -56.55 -37.67 70.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 207' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -80.17 -19.62 46.73 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.493 1.121 . . . . 0.0 110.257 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . 0.646 HD21 ' HA ' ' A' ' 165' ' ' GLU . 5.7 mt -80.47 -53.47 6.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.586 1.179 . . . . 0.0 109.3 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 209' ' ' ARG . . . . . 0.511 ' HB3' HG21 ' A' ' 222' ' ' ILE . 0.0 OUTLIER -59.07 -37.25 76.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.372 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.41 -34.68 76.45 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.448 1.093 . . . . 0.0 110.351 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 211' ' ' MET . . . . . 0.403 ' CE ' ' OE1' ' A' ' 165' ' ' GLU . 11.3 mtp -70.63 -53.46 15.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 1.124 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 212' ' ' VAL . . . . . 0.597 ' O ' ' CE1' ' A' ' 143' ' ' PHE . 25.7 m -72.05 -49.54 43.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.477 ' N ' HG23 ' A' ' 212' ' ' VAL . 1.8 mt-10 -105.58 89.43 3.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.543 1.152 . . . . 0.0 110.253 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -76.57 58.48 1.37 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.599 1.187 . . . . 0.0 110.292 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -134.95 96.15 14.74 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 56.28 4.23 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.484 1.781 . . . . 0.0 111.017 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -148.5 -52.22 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.371 1.045 . . . . 0.0 109.324 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 218' ' ' HIS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 219' ' ' PRO . 14.9 p-80 -162.4 131.25 3.01 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.668 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 219' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 218' ' ' HIS . 18.1 Cg_endo -74.99 -159.65 0.09 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.492 1.785 . . . . 0.0 110.952 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -167.22 -55.32 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.252 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 232' ' ' PHE . 96.2 m-85 -89.53 21.45 3.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 1.079 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 222' ' ' ILE . . . . . 0.511 HG21 ' HB3' ' A' ' 209' ' ' ARG . 8.6 mm -142.53 110.1 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.404 1.065 . . . . 0.0 109.266 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 223' ' ' GLN . . . . . 0.642 ' O ' HG12 ' A' ' 231' ' ' VAL . 48.3 mm-40 -120.73 121.51 38.39 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 110.249 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 224' ' ' THR . . . . . 0.48 ' O ' HG13 ' A' ' 225' ' ' VAL . 13.3 t -100.8 166.94 10.6 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 225' ' ' VAL . . . . . 0.48 HG13 ' O ' ' A' ' 224' ' ' THR . 0.0 OUTLIER -160.44 108.47 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.232 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -53.4 -46.32 69.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 108.004 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -54.35 -22.16 22.09 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.534 1.147 . . . . 0.0 110.988 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . 0.435 ' HA ' HD13 ' A' ' 228' ' ' LEU . 1.4 mm? -121.35 -88.78 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 0.782 . . . . 0.0 109.319 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 229' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . -175.94 -87.23 0.07 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.493 1.121 . . . . 0.0 110.92 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 230' ' ' TYR . . . . . 0.535 ' HB2' HD11 ' A' ' 185' ' ' LEU . 53.5 m-85 -152.47 121.08 6.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 111.0 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . 0.642 HG12 ' O ' ' A' ' 223' ' ' GLN . 7.2 p -119.53 168.83 11.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.14 . . . . 0.0 109.306 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 221' ' ' TYR . 5.0 t80 -120.38 97.56 5.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 60.1 t -110.86 112.25 56.01 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.334 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 234' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 162.59 36.82 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.559 1.821 . . . . 0.0 110.981 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.83 167.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.3 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -112.34 106.64 1.93 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.43 1.081 . . . . 0.0 111.063 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 51.1 m 65.84 95.58 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.963 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.1 99.28 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.078 . . . . 0.0 109.258 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.539 0 O-C-N 124.458 1.099 . . . . 0.0 109.299 179.972 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.519 HG12 ' CG ' ' A' ' 146' ' ' ASN . 0.8 OUTLIER -110.03 169.15 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.613 1.196 . . . . 0.0 109.252 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.887 HG13 HG21 ' A' ' 173' ' ' VAL . 28.9 mm -123.17 104.11 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.488 ' CB ' ' HA ' ' A' ' 144' ' ' LYS . . . -120.0 151.65 38.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.236 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.687 ' CE1' HG22 ' A' ' 138' ' ' ILE . 3.5 m-85 -125.58 -178.13 4.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 111.092 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 140' ' ' PHE . . . -32.91 -87.48 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.449 1.093 . . . . 0.0 110.89 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.568 ' C ' ' CD1' ' A' ' 143' ' ' PHE . 0.3 OUTLIER -98.14 43.73 1.06 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.445 0.732 . . . . 0.0 109.344 -179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.61 ' CD1' ' N ' ' A' ' 143' ' ' PHE . 0.2 OUTLIER -148.73 166.36 28.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.478 1.111 . . . . 0.0 110.982 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.488 ' HA ' ' CB ' ' A' ' 139' ' ' ALA . 0.1 OUTLIER -160.4 108.91 1.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 109.357 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.873 HD12 ' H ' ' A' ' 146' ' ' ASN . 0.1 OUTLIER -120.47 162.04 20.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.099 . . . . 0.0 109.253 -179.925 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.873 ' H ' HD12 ' A' ' 145' ' ' LEU . 56.8 t-20 -155.85 118.41 4.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.634 HD23 ' CE1' ' A' ' 166' ' ' PHE . 5.5 mp -82.34 -22.97 35.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 0.0 109.343 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -80.38 9.62 47.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.517 1.136 . . . . 0.0 110.964 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . 0.577 HG22 ' HB3' ' A' ' 146' ' ' ASN . 0.7 OUTLIER -144.97 -37.82 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.538 0.787 . . . . 0.0 110.275 -179.898 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.493 ' CB ' ' O ' ' A' ' 149' ' ' THR . 1.2 mtt180 83.14 43.87 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 153' ' ' PHE . 6.4 mt-10 -137.48 115.18 11.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 159' ' ' MET . 0.2 OUTLIER -119.3 145.24 46.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 110.982 -179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 151' ' ' GLU . 0.0 OUTLIER -150.3 149.9 30.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.562 ' HG3' ' CD2' ' A' ' 143' ' ' PHE . 0.0 OUTLIER -145.77 123.17 11.65 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.089 . . . . 0.0 110.32 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.409 ' C ' ' N ' ' A' ' 157' ' ' GLU . 3.0 tt0 72.18 58.88 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.518 1.136 . . . . 0.0 110.281 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 5.5 t0 45.7 25.92 0.31 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 155' ' ' GLU . 0.2 OUTLIER -125.73 137.96 31.03 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.34 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.12 43.05 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.437 1.756 . . . . 0.0 110.987 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 152' ' ' MET . 7.5 tpp -160.23 108.97 1.39 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 178.79 6.81 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.385 1.729 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -159.74 123.74 3.77 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.62 1.2 . . . . 0.0 109.237 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . 0.4 ' OG1' ' N ' ' A' ' 163' ' ' SER . 4.2 t -64.77 176.08 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 110.36 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . 0.4 ' N ' ' OG1' ' A' ' 162' ' ' THR . 19.3 m -66.15 -29.43 69.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.589 1.18 . . . . 0.0 110.051 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -62.79 -53.79 38.37 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.525 1.14 . . . . 0.0 110.958 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -55.58 -64.41 0.86 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.626 0.839 . . . . 0.0 110.281 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.634 ' CE1' HD23 ' A' ' 147' ' ' LEU . 3.0 t80 -46.17 -41.76 13.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.672 ' HB1' ' HB1' ' A' ' 189' ' ' ALA . . . -55.55 -64.13 0.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.424 HG13 ' CD1' ' A' ' 201' ' ' ILE . 89.8 t -61.1 -53.91 42.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.337 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.571 HD21 HD21 ' A' ' 145' ' ' LEU . 1.3 tt -47.95 -59.14 3.57 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.405 1.066 . . . . 0.0 109.247 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . 0.722 ' HA ' HG12 ' A' ' 173' ' ' VAL . 0.0 OUTLIER -49.46 -44.03 45.48 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.582 1.177 . . . . 0.0 109.291 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . . . . . . . . . . . -63.78 -30.56 71.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.393 1.058 . . . . 0.0 109.351 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.72 HD11 ' CD1' ' A' ' 205' ' ' ILE . 0.3 OUTLIER -79.03 -49.98 11.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.887 HG21 HG13 ' A' ' 138' ' ' ILE . 7.5 p -71.9 -6.53 7.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.605 1.19 . . . . 0.0 109.29 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . . . . . . . . . 41.4 t -61.97 -44.62 96.37 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.604 1.19 . . . . 0.0 110.004 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -123.72 88.77 51.87 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.112 . . . . 0.0 109.604 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . 0.422 ' O ' ' CB ' ' A' ' 177' ' ' ARG . 18.3 Cg_endo -75.03 64.96 6.11 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.463 1.77 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.422 ' CB ' ' O ' ' A' ' 176' ' ' PRO . 0.0 OUTLIER 163.73 -53.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -76.26 130.29 77.98 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.421 1.075 . . . . 0.0 110.372 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 179' ' ' PRO . . . . . 0.778 ' C ' HD22 ' A' ' 180' ' ' LEU . 18.4 Cg_endo -75.05 165.21 31.72 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.778 HD22 ' C ' ' A' ' 179' ' ' PRO . 3.8 mm? -137.76 172.1 13.45 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.565 1.166 . . . . 0.0 109.25 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . 0.554 ' O ' HD12 ' A' ' 185' ' ' LEU . 39.8 p -108.69 141.96 39.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.03 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 2.5 tmt_? -41.75 -32.93 0.43 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.56 1.162 . . . . 0.0 110.253 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -76.67 -56.67 4.4 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 0.0 109.409 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -53.67 -28.29 32.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.358 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.584 HD21 ' HB2' ' A' ' 230' ' ' TYR . 1.3 mp -63.23 -65.52 0.67 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.279 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . 0.459 ' HB2' ' HB1' ' A' ' 196' ' ' ALA . 16.8 ptm -59.35 -25.75 64.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 0.0 110.981 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -63.69 -51.7 63.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.388 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.2 -48.64 72.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . 0.672 ' HB1' ' HB1' ' A' ' 167' ' ' ALA . . . -48.74 -47.48 41.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.599 1.187 . . . . 0.0 109.296 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -66.65 77.11 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 110.255 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -95.72 -97.35 1.77 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.615 1.197 . . . . 0.0 111.069 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -68.67 -53.89 19.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.768 . . . . 0.0 110.264 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -108.96 176.55 5.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.39 1.056 . . . . 0.0 110.33 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 194' ' ' TYR . . . . . 0.599 ' CD1' ' C ' ' A' ' 194' ' ' TYR . 0.0 OUTLIER -86.34 42.01 0.97 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.433 1.083 . . . . 0.0 110.995 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.97 -53.16 35.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 110.097 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.601 ' HB2' ' HB3' ' A' ' 189' ' ' ALA . . . -46.18 -34.03 4.02 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.422 1.076 . . . . 0.0 109.244 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.7 45.58 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 110.986 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -94.68 -53.69 3.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.284 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.6 -76.34 0.19 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.475 1.109 . . . . 0.0 110.26 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -178.0 148.94 0.54 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.514 1.134 . . . . 0.0 109.947 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.479 ' CD1' ' HB3' ' A' ' 185' ' ' LEU . 3.8 mm -63.75 -65.93 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -41.88 -28.91 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 203' ' ' VAL . . . . . 0.436 ' N ' ' C ' ' A' ' 201' ' ' ILE . 25.3 t -80.22 -52.93 13.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 204' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -60.42 -45.37 93.86 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 110.3 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.72 ' CD1' HD11 ' A' ' 172' ' ' LEU . 19.0 mm -46.51 -56.47 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . 0.455 ' O ' ' CB ' ' A' ' 210' ' ' ARG . 40.0 t -51.45 -36.35 43.63 Favored 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.404 1.065 . . . . 0.0 110.056 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 207' ' ' ARG . . . . . 0.412 ' NH1' ' NH1' ' A' ' 210' ' ' ARG . 14.2 mmt180 -75.63 -26.39 57.71 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.388 1.055 . . . . 0.0 110.264 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . . . . . . . . . 62.5 mt -79.01 -47.36 16.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 1.125 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 209' ' ' ARG . . . . . 0.75 ' HB3' HG21 ' A' ' 222' ' ' ILE . 0.0 OUTLIER -71.49 -33.46 69.28 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 210' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 206' ' ' SER . 1.4 tmt_? -71.55 -27.09 62.92 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.535 1.147 . . . . 0.0 110.235 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -68.08 -59.78 2.99 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 110.967 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 212' ' ' VAL . . . . . . . . . . . . . 25.4 m -77.15 -45.08 30.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.271 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -108.23 91.45 3.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.426 1.079 . . . . 0.0 110.345 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -38.79 -73.4 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.576 1.172 . . . . 0.0 110.283 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 215' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.5 124.19 90.41 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.321 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 216' ' ' PRO . . . . . 0.42 ' HB3' ' NE ' ' A' ' 209' ' ' ARG . 18.5 Cg_endo -74.95 -20.16 17.26 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.527 1.804 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -70.14 -19.82 63.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.157 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -130.72 77.29 75.89 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.612 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -159.82 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.447 1.762 . . . . 0.0 110.996 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -173.66 -73.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.39 1.057 . . . . 0.0 110.321 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.551 ' CD2' ' HA ' ' A' ' 234' ' ' PRO . 90.3 m-85 -89.86 21.9 3.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 111.003 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 222' ' ' ILE . . . . . 0.75 HG21 ' HB3' ' A' ' 209' ' ' ARG . 15.9 mm -144.58 113.73 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 223' ' ' GLN . . . . . 0.565 ' O ' HG23 ' A' ' 225' ' ' VAL . 3.3 mm100 -120.38 90.12 3.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.315 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 224' ' ' THR . . . . . 0.429 HG23 ' CE1' ' A' ' 230' ' ' TYR . 94.9 m -65.87 113.29 4.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.355 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 225' ' ' VAL . . . . . 0.59 HG11 HD12 ' A' ' 228' ' ' LEU . 17.3 t -113.49 109.55 28.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.401 1.063 . . . . 0.0 109.267 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 89.2 m95 -60.31 -49.04 79.19 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -53.26 -37.44 54.95 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . 0.59 HD12 HG11 ' A' ' 225' ' ' VAL . 2.9 mt -103.68 -88.23 0.42 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.46 0.741 . . . . 0.0 109.275 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 229' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . -178.53 -78.78 0.06 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.437 1.085 . . . . 0.0 110.957 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 230' ' ' TYR . . . . . 0.584 ' HB2' HD21 ' A' ' 185' ' ' LEU . 88.7 m-85 -160.15 123.48 3.52 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.5 0.765 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . 0.442 HG13 ' HB2' ' A' ' 223' ' ' GLN . 14.6 p -119.61 156.55 22.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.545 ' CD1' ' O ' ' A' ' 221' ' ' TYR . 15.1 t80 -120.87 98.48 6.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.445 1.09 . . . . 0.0 110.996 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 16.3 t -103.85 106.28 52.01 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.467 1.104 . . . . 0.0 109.27 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 234' ' ' PRO . . . . . 0.551 ' HA ' ' CD2' ' A' ' 221' ' ' TYR . 17.9 Cg_endo -75.08 179.92 5.64 Favored 'Trans proline' 0 C--N 1.362 1.246 0 O-C-N 124.564 1.823 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -61.1 142.71 56.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 109.25 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -179.76 -69.51 0.07 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.381 1.051 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.3 149.09 47.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 0.761 . . . . 0.0 110.001 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 3.9 mtpp -141.85 162.65 34.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.28 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 109.218 179.952 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.443 ' C ' HG13 ' A' ' 137' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.727 HG23 ' N ' ' A' ' 138' ' ' ILE . 1.2 m 49.59 -176.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.584 1.177 . . . . 0.0 109.339 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.727 ' N ' HG23 ' A' ' 137' ' ' VAL . 8.7 mm -140.01 114.38 6.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.575 1.172 . . . . 0.0 109.298 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.495 ' CB ' ' HA ' ' A' ' 144' ' ' LYS . . . -135.53 156.53 48.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.525 1.14 . . . . 0.0 109.271 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.836 ' CZ ' ' CD1' ' A' ' 143' ' ' PHE . 12.2 p90 -159.24 118.17 2.93 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 111.096 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 74.11 -93.31 0.77 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.508 1.13 . . . . 0.0 111.046 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -125.48 1.76 7.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.836 ' CD1' ' CZ ' ' A' ' 140' ' ' PHE . 2.4 t80 -101.14 131.49 47.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.416 1.073 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.575 ' HD2' ' CE2' ' A' ' 153' ' ' PHE . 9.1 ptpt -131.32 140.55 49.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 109.232 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.815 HD21 HD11 ' A' ' 147' ' ' LEU . 0.2 OUTLIER -144.35 141.46 29.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.539 1.15 . . . . 0.0 109.271 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 150' ' ' ARG . 49.4 t-20 -144.01 114.46 7.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.815 HD11 HD21 ' A' ' 145' ' ' LEU . 0.5 OUTLIER -72.8 -47.63 44.89 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -51.34 -26.68 14.56 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.496 1.123 . . . . 0.0 110.941 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . . . . . . . . . 35.2 m -110.44 -14.11 14.16 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.399 0.705 . . . . 0.0 110.4 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 146' ' ' ASN . 29.5 ttp180 54.03 49.69 18.32 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 0.0 110.25 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -149.13 120.31 7.78 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.0 110.269 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.628 ' SD ' HD11 ' A' ' 161' ' ' LEU . 16.1 ptm -136.44 140.58 43.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.575 ' CE2' ' HD2' ' A' ' 144' ' ' LYS . 0.0 OUTLIER -135.9 173.45 11.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.392 1.058 . . . . 0.0 110.969 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -154.52 102.78 2.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.416 1.072 . . . . 0.0 110.289 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 59.35 69.12 0.74 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 53.23 63.43 2.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.266 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 153' ' ' PHE . 20.7 mt-10 -153.98 79.34 5.19 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.585 1.178 . . . . 0.0 110.301 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . 0.455 ' HA ' ' CD1' ' A' ' 153' ' ' PHE . 18.2 Cg_endo -75.07 126.97 10.27 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.554 1.818 . . . . 0.0 110.961 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . 0.415 ' HG3' ' O ' ' A' ' 152' ' ' MET . 0.0 OUTLIER -154.39 135.88 9.06 Favored Pre-proline 0 C--N 1.326 -0.428 0 O-C-N 124.5 1.125 . . . . 0.0 110.926 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 159' ' ' MET . 18.2 Cg_endo -74.91 -165.95 0.31 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.41 1.742 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . 0.628 HD11 ' SD ' ' A' ' 152' ' ' MET . 12.1 mt -140.78 152.92 45.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 24.6 m -79.71 166.5 21.74 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.375 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 2.2 m -59.71 -58.05 10.27 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.519 1.137 . . . . 0.0 110.005 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -66.03 -30.53 77.15 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.565 1.166 . . . . 0.0 110.974 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . 0.669 ' HB3' HD21 ' A' ' 208' ' ' LEU . 96.0 mt-10 -67.79 -73.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 0.745 . . . . 0.0 110.335 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . 0.575 ' C ' ' CD1' ' A' ' 166' ' ' PHE . 0.3 OUTLIER -39.65 -35.02 0.28 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.617 1.198 . . . . 0.0 110.993 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . . . . . . . . . . . -70.57 -58.82 3.28 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.32 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.566 HG13 ' CD2' ' A' ' 185' ' ' LEU . 9.5 t -54.28 -39.55 44.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 109.31 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 0.558 HD22 HD11 ' A' ' 145' ' ' LEU . 0.7 OUTLIER -69.91 -22.34 63.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . 0.6 ' HG3' HD23 ' A' ' 147' ' ' LEU . 10.9 tmtt? -77.1 -52.5 9.19 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.409 1.068 . . . . 0.0 109.295 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.582 ' HB2' HD22 ' A' ' 188' ' ' LEU . . . -58.83 -32.48 69.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.593 HD22 ' HB2' ' A' ' 232' ' ' PHE . 0.9 OUTLIER -74.95 -52.1 12.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.341 -179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.534 HG12 ' HA ' ' A' ' 170' ' ' LYS . 0.8 OUTLIER -70.9 -7.87 9.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 109.252 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . 0.452 ' N ' ' O ' ' A' ' 170' ' ' LYS . 35.4 t -73.06 -14.63 61.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 109.96 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -152.74 80.12 5.68 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.535 1.147 . . . . 0.0 109.613 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 58.24 4.84 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.458 1.768 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . . . . . . . . . 15.4 ttt85 176.88 -41.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.614 1.196 . . . . 0.0 110.259 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -93.27 137.4 23.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.348 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 179' ' ' PRO . . . . . 0.563 ' O ' HD22 ' A' ' 180' ' ' LEU . 18.3 Cg_endo -75.01 159.98 40.67 Favored 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.525 1.803 . . . . 0.0 110.971 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.594 HD12 ' HB3' ' A' ' 184' ' ' LYS . 1.2 mm? -136.89 139.3 41.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 0.0 109.348 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 184' ' ' LYS . 0.3 OUTLIER -79.37 140.11 37.56 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.512 1.133 . . . . 0.0 109.949 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . 0.713 ' HG2' HD12 ' A' ' 201' ' ' ILE . 5.6 tmm_? -40.18 -38.83 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.399 1.062 . . . . 0.0 110.21 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.59 -49.79 61.44 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.58 1.175 . . . . 0.0 109.298 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . 0.594 ' HB3' HD12 ' A' ' 180' ' ' LEU . 5.2 mmtp -48.97 -41.03 32.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.354 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.566 ' CD2' HG13 ' A' ' 168' ' ' VAL . 0.5 OUTLIER -54.33 -63.3 1.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . 0.483 ' HB2' ' HB1' ' A' ' 196' ' ' ALA . 6.8 ptp -67.23 -9.85 44.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.986 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . . . . . . . . . 27.2 t30 -79.24 -37.81 37.1 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . 0.582 HD22 ' HB2' ' A' ' 171' ' ' ALA . 0.7 OUTLIER -79.51 -41.32 27.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.077 . . . . 0.0 109.348 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . . . . . . . . . . . -56.1 -62.15 1.9 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 40.98 85.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.611 1.195 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -134.85 153.28 21.03 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.566 1.166 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 4.6 ttm105 -109.21 60.87 0.6 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 0.796 . . . . 0.0 110.256 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -176.32 57.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 110.293 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 194' ' ' TYR . . . . . . . . . . . . . 16.9 t80 41.42 62.33 1.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 46.6 t -121.55 -43.79 2.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.988 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . 0.483 ' HB1' ' HB2' ' A' ' 186' ' ' MET . . . -86.27 48.49 1.63 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.12 . . . . 0.0 109.354 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 1.2 ttt -171.55 -56.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 38.96 35.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 71.78 59.71 0.15 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 110.252 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.29 149.39 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.409 1.068 . . . . 0.0 109.993 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.713 HD12 ' HG2' ' A' ' 182' ' ' ARG . 6.0 mt -85.0 -47.41 17.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 202' ' ' ASP . . . . . 0.501 ' CA ' ' OH ' ' A' ' 230' ' ' TYR . 0.8 OUTLIER -47.27 -28.84 2.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.1 . . . . 0.0 109.221 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 203' ' ' VAL . . . . . . . . . . . . . 90.7 t -80.11 -56.03 7.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.425 1.078 . . . . 0.0 109.378 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 204' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 207' ' ' ARG . 3.9 tp60 -57.07 -50.05 73.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.216 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.694 HG12 HG22 ' A' ' 201' ' ' ILE . 14.5 mm -43.19 -52.07 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.167 . . . . 0.0 109.302 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . . . . . . . . . 7.6 t -53.61 -37.8 63.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 0.0 110.045 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 207' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 204' ' ' GLN . 2.4 mmp_? -77.43 -36.23 53.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 110.355 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . 0.669 HD21 ' HB3' ' A' ' 165' ' ' GLU . 25.4 mt -69.14 -27.56 65.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.275 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 209' ' ' ARG . . . . . 0.636 ' HD2' HG22 ' A' ' 205' ' ' ILE . 2.8 mtt180 -68.2 -53.44 24.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.421 1.076 . . . . 0.0 110.353 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.15 -18.58 65.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.33 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 3.3 mtp -80.2 -52.92 7.17 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 212' ' ' VAL . . . . . 0.74 HG23 ' HG2' ' A' ' 213' ' ' GLU . 34.1 m -71.45 -28.37 31.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 109.255 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.74 ' HG2' HG23 ' A' ' 212' ' ' VAL . 2.5 mm-40 -119.79 -147.16 0.39 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.562 1.163 . . . . 0.0 110.369 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 215' ' ' ASP . 0.0 OUTLIER -160.41 -44.35 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.372 1.045 . . . . 0.0 110.279 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 215' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 214' ' ' GLU . 0.5 OUTLIER -39.83 101.58 0.24 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.137 . . . . 0.0 109.304 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 216' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 55.51 3.96 Favored 'Trans proline' 0 C--N 1.358 1.073 0 O-C-N 124.517 1.798 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -147.39 -49.48 0.18 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.514 1.134 . . . . 0.0 109.324 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 218' ' ' HIS . . . . . 0.476 ' CG ' ' HD2' ' A' ' 219' ' ' PRO . 13.3 t60 -171.5 141.62 1.31 Allowed Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.599 1.187 . . . . 0.0 109.593 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 219' ' ' PRO . . . . . 0.476 ' HD2' ' CG ' ' A' ' 218' ' ' HIS . 18.3 Cg_endo -74.94 -159.57 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.429 1.752 . . . . 0.0 111.014 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -137.13 -55.91 0.71 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.434 1.084 . . . . 0.0 110.285 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.57 ' HB3' ' CE1' ' A' ' 232' ' ' PHE . 55.0 m-85 -89.66 21.56 3.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 111.01 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 222' ' ' ILE . . . . . . . . . . . . . 16.2 mm -140.21 110.61 3.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.41 1.069 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -119.92 101.2 7.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.332 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 224' ' ' THR . . . . . . . . . . . . . 98.9 m -79.76 121.27 25.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 110.492 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 225' ' ' VAL . . . . . 0.48 ' O ' ' N ' ' A' ' 229' ' ' GLY . 17.9 m -126.34 120.39 56.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -64.92 -43.97 91.05 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -48.26 -27.09 5.24 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.55 1.156 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -123.82 -81.7 0.64 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.544 0.79 . . . . 0.0 109.258 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 229' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 177.25 -77.94 0.07 OUTLIER Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.522 1.139 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 230' ' ' TYR . . . . . 0.561 ' CE2' HG13 ' A' ' 205' ' ' ILE . 57.1 m-85 -156.3 124.57 5.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 0.744 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . 0.544 HG23 ' HA ' ' A' ' 179' ' ' PRO . 2.7 p -119.52 153.29 22.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.565 1.166 . . . . 0.0 109.284 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.593 ' HB2' HD22 ' A' ' 172' ' ' LEU . 8.7 t80 -119.9 97.04 5.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 111.018 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 233' ' ' VAL . . . . . . . . . . . . . 57.9 t -94.14 111.79 54.74 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.286 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 234' ' ' PRO . . . . . 0.563 ' HA ' ' CD2' ' A' ' 221' ' ' TYR . 18.5 Cg_endo -74.95 111.24 3.28 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.514 1.797 . . . . 0.0 111.034 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 9.8 t0 58.79 158.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 236' ' ' GLY . . . . . . . . . . . . . . . -45.46 150.87 1.11 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.48 1.112 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 16.7 p -179.17 -59.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.484 0.755 . . . . 0.0 110.005 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 238' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.93 85.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.502 1.126 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.902 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.428 ' O ' ' O ' ' A' ' 137' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.676 HG23 ' N ' ' A' ' 138' ' ' ILE . 0.8 OUTLIER 43.78 -168.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 0.0 109.359 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ILE . . . . . 0.676 ' N ' HG23 ' A' ' 137' ' ' VAL . 5.3 mp -145.72 107.85 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.458 1.099 . . . . 0.0 109.34 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ALA . . . . . 0.585 ' C ' ' CD1' ' A' ' 140' ' ' PHE . . . -125.05 165.81 17.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.581 1.176 . . . . 0.0 109.366 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' PHE . . . . . 0.619 ' CD1' ' N ' ' A' ' 140' ' ' PHE . 0.6 OUTLIER -144.59 79.53 1.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.145 . . . . 0.0 110.986 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . 60.08 -79.66 0.01 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.492 1.12 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 140' ' ' PHE . 0.4 OUTLIER -85.83 -42.81 13.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 0.744 . . . . 0.0 109.35 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.421 ' HB2' ' HB2' ' A' ' 140' ' ' PHE . 85.4 m-85 -69.17 162.68 26.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.538 1.149 . . . . 0.0 111.009 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' LYS . . . . . 0.571 ' HB3' ' CE2' ' A' ' 153' ' ' PHE . 0.0 OUTLIER -162.23 102.86 1.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.156 . . . . 0.0 109.313 -179.963 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' LEU . . . . . 0.626 HD12 ' H ' ' A' ' 146' ' ' ASN . 0.8 OUTLIER -119.7 156.85 29.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ASN . . . . . 0.661 ' CG ' HG12 ' A' ' 137' ' ' VAL . 46.9 t-20 -156.54 119.7 4.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 109.276 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' LEU . . . . . 0.709 HD21 HD22 ' A' ' 169' ' ' LEU . 3.4 mt -79.5 -24.63 42.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.276 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' GLY . . . . . . . . . . . . . . . -72.12 -30.13 65.71 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.391 1.057 . . . . 0.0 111.006 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' THR . . . . . 0.434 HG22 ' HB2' ' A' ' 151' ' ' GLU . 2.3 m -110.04 -11.31 14.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 110.443 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 52.72 50.67 17.6 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 110.34 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.434 ' HB2' HG22 ' A' ' 149' ' ' THR . 3.2 mt-10 -144.92 116.91 8.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.561 1.163 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' MET . . . . . 0.409 ' HA ' ' O ' ' A' ' 144' ' ' LYS . 5.7 ttt -119.73 144.96 46.96 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.582 1.177 . . . . 0.0 110.943 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.571 ' CE2' ' HB3' ' A' ' 144' ' ' LYS . 0.9 OUTLIER -159.45 155.46 26.59 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 111.007 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' ARG . . . . . 0.55 ' O ' ' CB ' ' A' ' 155' ' ' GLU . 0.0 OUTLIER -120.07 98.98 6.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.599 1.187 . . . . 0.0 110.271 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.55 ' CB ' ' O ' ' A' ' 154' ' ' ARG . 1.1 tt0 89.62 -24.24 0.09 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.539 1.149 . . . . 0.0 110.324 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 155' ' ' GLU . 0.6 OUTLIER 157.16 -32.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.27 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' GLU . . . . . 0.405 ' O ' ' CB ' ' A' ' 153' ' ' PHE . 1.6 mp0 -48.5 105.31 0.48 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.414 1.071 . . . . 0.0 110.323 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.95 118.36 5.25 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.525 1.803 . . . . 0.0 110.913 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' MET . . . . . 0.404 ' HA ' ' HD3' ' A' ' 160' ' ' PRO . 0.0 OUTLIER -144.38 135.67 12.6 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 159' ' ' MET . 18.2 Cg_endo -74.94 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.594 1.839 . . . . 0.0 110.952 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -156.76 122.97 4.93 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.475 1.109 . . . . 0.0 109.297 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' THR . . . . . . . . . . . . . 88.8 m -39.16 146.79 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 110.432 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 13.2 m -50.84 -59.03 4.54 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.408 1.067 . . . . 0.0 109.973 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' GLY . . . . . . . . . . . . . . . -46.38 -46.21 16.68 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.415 1.072 . . . . 0.0 110.953 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -56.51 -47.6 78.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.555 0.797 . . . . 0.0 110.324 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 166' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -59.67 -59.86 4.77 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.17 . . . . 0.0 110.987 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 167' ' ' ALA . . . . . 0.566 ' HB1' ' HB1' ' A' ' 189' ' ' ALA . . . -52.17 -59.16 4.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.248 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 168' ' ' VAL . . . . . 0.615 HG22 HD11 ' A' ' 201' ' ' ILE . 20.5 t -48.4 -55.51 3.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 124.506 1.129 . . . . 0.0 109.243 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 169' ' ' LEU . . . . . 1.044 HD12 HD22 ' A' ' 208' ' ' LEU . 3.6 tt -54.36 -61.02 2.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 170' ' ' LYS . . . . . 0.55 ' HG3' HD13 ' A' ' 147' ' ' LEU . 0.5 OUTLIER -41.04 -39.97 1.33 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.252 -179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 171' ' ' ALA . . . . . 0.589 ' HB3' ' O ' ' A' ' 168' ' ' VAL . . . -60.57 -55.88 28.04 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.565 1.165 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 172' ' ' LEU . . . . . 0.484 ' CD2' ' C ' ' A' ' 231' ' ' VAL . 0.4 OUTLIER -60.43 -41.26 93.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 173' ' ' VAL . . . . . 0.671 HG11 HD11 ' A' ' 138' ' ' ILE . 41.1 t -79.98 0.22 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 174' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 170' ' ' LYS . 3.2 m -102.4 -27.27 12.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.117 . . . . 0.0 109.94 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 175' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -115.05 90.53 23.67 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.522 1.139 . . . . 0.0 109.632 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 176' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 132.21 15.17 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.487 1.782 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 177' ' ' ARG . . . . . 0.439 ' NH1' ' CB ' ' A' ' 238' ' ' LYS . 1.3 mtt180 45.77 54.85 7.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.578 1.173 . . . . 0.0 110.242 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 178' ' ' GLU . . . . . 0.503 ' C ' HG23 ' A' ' 231' ' ' VAL . 6.7 tt0 -153.35 98.75 2.7 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 179' ' ' PRO . . . . . 0.573 ' HB2' HD22 ' A' ' 228' ' ' LEU . 18.3 Cg_endo -74.96 131.0 13.84 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.516 1.798 . . . . 0.0 111.07 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 180' ' ' LEU . . . . . 0.489 ' CD1' ' O ' ' A' ' 178' ' ' GLU . 1.2 mp -131.63 152.55 50.74 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 181' ' ' SER . . . . . 0.507 ' O ' HD12 ' A' ' 185' ' ' LEU . 8.9 m -57.69 159.27 5.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.093 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 182' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.69 -32.72 59.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 183' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 187' ' ' ASN . 0.1 OUTLIER -69.52 -60.1 2.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.46 1.1 . . . . 0.0 109.223 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 184' ' ' LYS . . . . . . . . . . . . . 40.3 mmtt -40.99 -36.45 0.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 185' ' ' LEU . . . . . 0.507 HD12 ' O ' ' A' ' 181' ' ' SER . 2.0 mp -58.91 -65.31 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 186' ' ' MET . . . . . . . . . . . . . 10.2 ptm -67.68 -15.06 63.45 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 111.051 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 187' ' ' ASN . . . . . 0.443 ' N ' ' O ' ' A' ' 183' ' ' ASP . 1.2 t30 -79.98 -61.81 1.88 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.537 1.148 . . . . 0.0 109.319 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 188' ' ' LEU . . . . . . . . . . . . . 56.7 tp -43.26 -47.94 6.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 189' ' ' ALA . . . . . 0.566 ' HB1' ' HB1' ' A' ' 167' ' ' ALA . . . -53.71 -64.12 0.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 190' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 38.69 74.62 0.09 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.452 1.095 . . . . 0.0 110.381 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 191' ' ' GLY . . . . . . . . . . . . . . . -106.69 150.96 16.89 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.579 1.174 . . . . 0.0 110.961 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 192' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.31 83.03 6.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.582 0.813 . . . . 0.0 110.207 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 193' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 179.13 176.19 0.6 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 194' ' ' TYR . . . . . . . . . . . . . 10.4 t80 -70.61 74.43 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.105 . . . . 0.0 111.04 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 195' ' ' SER . . . . . . . . . . . . . 1.8 t -131.66 -60.42 0.93 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 110.028 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 196' ' ' ALA . . . . . . . . . . . . . . . -51.95 -53.02 46.24 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.402 1.064 . . . . 0.0 109.275 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 197' ' ' MET . . . . . . . . . . . . . 16.5 ttm -38.95 -52.38 1.78 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 111.058 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 198' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -49.19 -54.9 14.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.117 . . . . 0.0 110.213 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 199' ' ' ARG . . . . . . . . . . . . . 11.5 ttm180 46.79 95.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.229 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.19 43.95 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.009 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ILE . . . . . 0.615 HD11 HG22 ' A' ' 168' ' ' VAL . 1.9 mm -47.97 -45.6 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.538 1.149 . . . . 0.0 109.385 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 202' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -47.27 -57.6 5.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.281 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 203' ' ' VAL . . . . . 0.409 ' O ' ' N ' ' A' ' 207' ' ' ARG . 60.1 t -64.05 -54.91 25.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 0.0 109.386 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 204' ' ' GLN . . . . . 0.44 ' O ' ' N ' ' A' ' 208' ' ' LEU . 1.7 mp0 -46.46 -36.47 6.65 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.535 1.147 . . . . 0.0 110.346 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 205' ' ' ILE . . . . . 0.412 HD12 ' CD1' ' A' ' 230' ' ' TYR . 4.9 mm -62.34 -63.75 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 109.248 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 206' ' ' SER . . . . . 0.453 ' HA ' ' CG ' ' A' ' 209' ' ' ARG . 19.4 t -60.88 -28.02 68.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.984 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 207' ' ' ARG . . . . . 0.409 ' N ' ' O ' ' A' ' 203' ' ' VAL . 16.8 tpp180 -78.74 -27.01 44.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.165 . . . . 0.0 110.258 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 208' ' ' LEU . . . . . 1.044 HD22 HD12 ' A' ' 169' ' ' LEU . 12.3 mt -80.03 -55.72 4.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 209' ' ' ARG . . . . . 0.672 ' HB3' HG21 ' A' ' 222' ' ' ILE . 0.0 OUTLIER -55.26 -29.36 57.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 110.288 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 210' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -70.33 -45.98 65.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 211' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.79 -51.43 69.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.429 1.08 . . . . 0.0 110.972 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 212' ' ' VAL . . . . . 0.551 ' HB ' ' CZ ' ' A' ' 140' ' ' PHE . 29.0 m -74.83 -34.04 32.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 109.376 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 213' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 209' ' ' ARG . 58.0 mm-40 -141.49 90.72 2.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.54 1.15 . . . . 0.0 110.301 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 214' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' A' ' 216' ' ' PRO . 5.6 tp10 -48.94 -36.92 18.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 110.261 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 215' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 214' ' ' GLU . 0.2 OUTLIER -38.88 99.2 0.19 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 216' ' ' PRO . . . . . 0.515 ' HA ' ' NH1' ' A' ' 209' ' ' ARG . 18.4 Cg_endo -75.02 1.73 7.42 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.547 1.814 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 217' ' ' ALA . . . . . . . . . . . . . . . -79.27 -68.87 0.62 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.333 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 218' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -159.73 121.68 1.84 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.633 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 219' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -159.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.438 1.757 . . . . 0.0 111.049 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 220' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -141.41 -45.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.239 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 221' ' ' TYR . . . . . 0.599 ' O ' ' CE1' ' A' ' 232' ' ' PHE . 24.3 m-85 -86.94 18.5 3.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.59 1.182 . . . . 0.0 111.003 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 222' ' ' ILE . . . . . 0.672 HG21 ' HB3' ' A' ' 209' ' ' ARG . 1.7 mt -152.17 117.17 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.572 1.17 . . . . 0.0 109.368 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 223' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -119.83 102.14 8.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 224' ' ' THR . . . . . 0.732 HG23 ' CE1' ' A' ' 230' ' ' TYR . 31.4 m -83.12 122.97 29.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.42 1.075 . . . . 0.0 110.411 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 225' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 229' ' ' GLY . 0.0 OUTLIER -129.78 106.82 14.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.419 1.075 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 226' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -57.67 -37.51 73.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.512 1.132 . . . . 0.0 108.018 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 227' ' ' GLY . . . . . . . . . . . . . . . -56.68 -23.87 45.71 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.484 1.115 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 228' ' ' LEU . . . . . 0.573 HD22 ' HB2' ' A' ' 179' ' ' PRO . 0.2 OUTLIER -124.23 -79.94 0.62 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 0.788 . . . . 0.0 109.296 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 229' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 225' ' ' VAL . . . 178.59 -86.01 0.07 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.426 1.079 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 230' ' ' TYR . . . . . 0.732 ' CE1' HG23 ' A' ' 224' ' ' THR . 79.0 m-85 -160.07 124.02 3.68 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.483 0.755 . . . . 0.0 111.003 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 231' ' ' VAL . . . . . 0.514 HG22 ' H ' ' A' ' 232' ' ' PHE . 9.9 p -119.52 170.55 8.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 232' ' ' PHE . . . . . 0.599 ' CE1' ' O ' ' A' ' 221' ' ' TYR . 14.1 t80 -131.37 104.12 6.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 233' ' ' VAL . . . . . 0.426 HG22 ' HG2' ' A' ' 177' ' ' ARG . 83.1 t -115.27 90.09 23.27 Favored Pre-proline 0 C--N 1.326 -0.418 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 234' ' ' PRO . . . . . 0.428 ' O ' ' N ' ' A' ' 236' ' ' GLY . 18.4 Cg_endo -74.9 125.37 9.33 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.471 1.774 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 235' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.63 -64.86 0.33 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.612 1.195 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 236' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 234' ' ' PRO . . . 164.35 -61.67 0.25 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.489 1.118 . . . . 0.0 110.98 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 237' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 77.53 -69.48 0.14 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 0.779 . . . . 0.0 110.039 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 238' ' ' LYS . . . . . 0.439 ' CB ' ' NH1' ' A' ' 177' ' ' ARG . 5.5 mmtt -90.9 145.32 24.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.253 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 239' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.413 1.071 . . . . 0.0 109.333 -179.995 . . . . . . . . 0 0 . 1 stop_ save_